Target Information
| Target General Information | Top | |||||
|---|---|---|---|---|---|---|
| Target ID |
T13260
(Former ID: TTDS00252)
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| Target Name |
Aromatase (CYP19A1)
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| Synonyms |
P-450AROM; Estrogen synthetase; Estrogen synthase; Cytochrome P450 19A1; Cytochrome P-450AROM; CYPXIX; CYP19; CYAR; ARO1
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| Gene Name |
CYP19A1
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| Target Type |
Successful target
|
[1] | ||||
| Disease | [+] 2 Target-related Diseases | + | ||||
| 1 | Breast cancer [ICD-11: 2C60-2C6Y] | |||||
| 2 | Cushing syndrome [ICD-11: 5A70] | |||||
| Function |
Catalyzes the formation of aromatic C18 estrogens from C19 androgens.
Click to Show/Hide
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| BioChemical Class |
Paired donor oxygen oxidoreductase
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| UniProt ID | ||||||
| EC Number |
EC 1.14.14.14
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| Sequence |
MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLI
SHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKL GLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTN ESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWL YKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCI LEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFI YESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAK NVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLH PDETKNMLEMIFTPRNSDRCLEH Click to Show/Hide
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| 3D Structure | Click to Show 3D Structure of This Target | PDB | ||||
| HIT2.0 ID | T88LSZ | |||||
| Drugs and Modes of Action | Top | |||||
|---|---|---|---|---|---|---|
| Approved Drug(s) | [+] 6 Approved Drugs | + | ||||
| 1 | Aminoglutethimide | Drug Info | Approved | Cushing disease | [2], [3] | |
| 2 | Anastrozole | Drug Info | Approved | Breast cancer | [4], [5] | |
| 3 | Exemestane | Drug Info | Approved | Hormonally-responsive breast cancer | [6], [7] | |
| 4 | FADROZOLE | Drug Info | Approved | Breast cancer | [8], [9], [10] | |
| 5 | Letrozole | Drug Info | Approved | Hormonally-responsive breast cancer | [11], [5] | |
| 6 | Testolactone | Drug Info | Approved | Breast cancer | [12], [7] | |
| Clinical Trial Drug(s) | [+] 5 Clinical Trial Drugs | + | ||||
| 1 | Atamestane + Toremifene | Drug Info | Phase 3 | Breast cancer | [13] | |
| 2 | LIAROZOLE | Drug Info | Phase 2/3 | Dermatological disease | [14], [15] | |
| 3 | BGS-649 | Drug Info | Phase 2 | Endometriosis | [16] | |
| 4 | Coumate | Drug Info | Phase 2 | Breast cancer | [17] | |
| 5 | Dextromethorphan+quinidine | Drug Info | Phase 2 | Diabetic neuropathy | [18] | |
| Discontinued Drug(s) | [+] 6 Discontinued Drugs | + | ||||
| 1 | FORMESTANE | Drug Info | Withdrawn from market | Breast cancer | [9], [19] | |
| 2 | FINROZOLE | Drug Info | Discontinued in Phase 2 | Prostate disease | [20] | |
| 3 | NKS-01 | Drug Info | Discontinued in Phase 2 | Bladder cancer | [21] | |
| 4 | YM-511 | Drug Info | Discontinued in Phase 2 | Breast cancer | [22] | |
| 5 | MINAMESTANE | Drug Info | Terminated | Bladder cancer | [23] | |
| 6 | Rogletimide | Drug Info | Terminated | Breast cancer | [24] | |
| Mode of Action | [+] 2 Modes of Action | + | ||||
| Inhibitor | [+] 237 Inhibitor drugs | + | ||||
| 1 | Aminoglutethimide | Drug Info | [1] | |||
| 2 | Anastrozole | Drug Info | [25], [26] | |||
| 3 | Exemestane | Drug Info | [27] | |||
| 4 | FADROZOLE | Drug Info | [28] | |||
| 5 | Letrozole | Drug Info | [27] | |||
| 6 | Testolactone | Drug Info | [26], [29] | |||
| 7 | LIAROZOLE | Drug Info | [31] | |||
| 8 | BGS-649 | Drug Info | [32] | |||
| 9 | Coumate | Drug Info | [33] | |||
| 10 | Dextromethorphan+quinidine | Drug Info | [34] | |||
| 11 | NARINGENIN | Drug Info | [31] | |||
| 12 | FORMESTANE | Drug Info | [35] | |||
| 13 | FINROZOLE | Drug Info | [9], [36] | |||
| 14 | NKS-01 | Drug Info | [9], [37] | |||
| 15 | VOROZOLE | Drug Info | [38] | |||
| 16 | YM-511 | Drug Info | [39] | |||
| 17 | MINAMESTANE | Drug Info | [9], [40] | |||
| 18 | Rogletimide | Drug Info | [41] | |||
| 19 | (+/-)-7-methoxy-2-(4-methoxyphenyl)chroman-4-one | Drug Info | [42] | |||
| 20 | (+/-)-7-methoxy-2-phenylchroman-4-one | Drug Info | [43] | |||
| 21 | (2S)-5,7,2',4'-tetrahydroxyflavanone | Drug Info | [44] | |||
| 22 | (2S)-abyssinone II | Drug Info | [44] | |||
| 23 | (2S)-euchrenone a7 | Drug Info | [44] | |||
| 24 | 1-(1-Benzyl-2-biphenyl-4-yl-ethyl)-1H-imidazole | Drug Info | [45] | |||
| 25 | 1-(2-(benzo[b]thiophen-4-yl)ethyl)-1H-imidazole | Drug Info | [46] | |||
| 26 | 1-(2-phenoxybenzyl)-1H-imidazole | Drug Info | [47] | |||
| 27 | 1-(3-(4-fluorophenyl)propyl)-1H-imidazole | Drug Info | [31] | |||
| 28 | 1-(3-Methoxy-naphthalen-2-yl)-1H-imidazole | Drug Info | [48] | |||
| 29 | 1-(4-Aminophenyl)-2-(1H-imidazol-1-yl)ethanone | Drug Info | [49] | |||
| 30 | 1-(4-Cyanobenzyl)-5-methyl-1H-imidazole | Drug Info | [50] | |||
| 31 | 1-(4-nitro-2-phenoxybenzyl)-1H-imidazole | Drug Info | [47] | |||
| 32 | 1-(4-Nitro-2-phenylsulfanylbenzyl)-1H-imidazole | Drug Info | [47] | |||
| 33 | 1-(7-Methoxy-2-phenyl-chroman-4-yl)-1H-imidazole | Drug Info | [51] | |||
| 34 | 1-(9-phenyl-9H-fluoren-9-yl)-1H-1,2,4-triazole | Drug Info | [46] | |||
| 35 | 1-(9-Phenyl-9H-fluoren-9-yl)1H-imidazole | Drug Info | [31] | |||
| 36 | 1-(9H-fluoren-9-yl)-1H-imidazole | Drug Info | [46] | |||
| 37 | 1-(biphenyl-3-ylmethyl)-1H-1,2,4-triazole | Drug Info | [33] | |||
| 38 | 1-Bromo-4-imidazol-1-ylmethyl-xanthen-9-one | Drug Info | [52] | |||
| 39 | 1-Ethyl-5-(imidazol-1-yl-phenyl-methyl)-1H-indole | Drug Info | [53] | |||
| 40 | 1-Imidazol-1-ylmethyl-4-nitro-xanthen-9-one | Drug Info | [52] | |||
| 41 | 1-Imidazol-1-ylmethylxanthen-9-one | Drug Info | [47] | |||
| 42 | 1-Naphthalen-2-yl-1H-imidazole | Drug Info | [48] | |||
| 43 | 1-[(7-Fluoronaphth-2-yl)methyl]-1H-imidazole | Drug Info | [31] | |||
| 44 | 10-EPI-8-DEOXY-CUMAMBRIN B | Drug Info | [31] | |||
| 45 | 11BETA,13-DIHYDRO-10-EPI-8-DEOXYCUMAM-BRIN B | Drug Info | [31] | |||
| 46 | 2,3,4-Trimethoxy-4'-amino-trans-stilbene | Drug Info | [49] | |||
| 47 | 2,3,5-Trimethoxy-4'-amino-trans-stilbene | Drug Info | [49] | |||
| 48 | 2,3-Dimethoxy-4'-amino-trans-stilbene | Drug Info | [49] | |||
| 49 | 2,4-Dimethoxy-3'-amino-trans-stilbene | Drug Info | [49] | |||
| 50 | 2,4-Dimethoxy-4'-amino-trans-stilbene | Drug Info | [49] | |||
| 51 | 2,5-Dimethoxy-4'-amino-trans-stilbene | Drug Info | [49] | |||
| 52 | 2-(1H-Imidazol-1-yl)-1-(4-nitrophenyl)ethanone | Drug Info | [49] | |||
| 53 | 2-(3-hydroxyphenyl)-7-methoxychroman-4-one | Drug Info | [43] | |||
| 54 | 2-(4-hydroxyphenyl)-7-methoxychroman-4-one | Drug Info | [43] | |||
| 55 | 2-Imidazol-1-yl-7-methoxy-3-phenyl-chromen-4-one | Drug Info | [54] | |||
| 56 | 2-Imidazol-1-ylmethylxanthen-9-one | Drug Info | [47] | |||
| 57 | 2-phenyl-2,3-dihydrobenzo[h]chromen-4-one | Drug Info | [43] | |||
| 58 | 2-Phenyl-3-pyridin-4-ylmethylene-chroman-4-one | Drug Info | [55] | |||
| 59 | 2-Phenyl-4-[1,2,4]triazol-1-yl-chroman-7-ol | Drug Info | [51] | |||
| 60 | 3,4'-(Ethane-1,2-diyl)dibenzenamine | Drug Info | [49] | |||
| 61 | 3,4,5-Trimethoxy-3'-amino-trans-stilbene | Drug Info | [49] | |||
| 62 | 3,4,5-Trimethoxy-4'-amino-trans-stilbene | Drug Info | [49] | |||
| 63 | 3,4-bis(3,4-dimethoxyphenyl)furan-2(5H)-one | Drug Info | [31] | |||
| 64 | 3,4-Dimethoxy-4'-amino-trans-stilbene | Drug Info | [49] | |||
| 65 | 3,5-Diacetoxy-4'-amino-trans-stilbene | Drug Info | [49] | |||
| 66 | 3,5-Diamino-4'-amino-trans-stilbene | Drug Info | [49] | |||
| 67 | 3,5-Dihydroxyl-4'-amino-trans-stilbene | Drug Info | [49] | |||
| 68 | 3,5-Dimethoxy-4'-amino-trans-stilbene | Drug Info | [49] | |||
| 69 | 3-((1H-imidazol-1-yl)methyl)-9H-xanthen-9-one | Drug Info | [47] | |||
| 70 | 3-(1-ethyl-3,4-dihydronaphthalen-2-yl)-pyridine | Drug Info | [56] | |||
| 71 | 3-(1-methyl-3,4-dihydronaphthalen-2-yl)-pyridine | Drug Info | [56] | |||
| 72 | 3-(2,2-Diphenyl-vinyl)-pyridine | Drug Info | [57] | |||
| 73 | 3-(3,4-dihydronaphthalen-2-yl)pyridine | Drug Info | [56] | |||
| 74 | 3-(3-methyl-3,4-dihydronaphthalen-2-yl)pyridine | Drug Info | [56] | |||
| 75 | 3-(4-Amino-phenyl)-1-methyl-pyrrolidine-2,5-dione | Drug Info | [58] | |||
| 76 | 3-(4-Amino-phenyl)-3-butyl-piperidine-2,6-dione | Drug Info | [59] | |||
| 77 | 3-(4-Amino-phenyl)-3-ethyl-pyrrolidine-2,5-dione | Drug Info | [58] | |||
| 78 | 3-(4-Amino-phenyl)-3-heptyl-piperidine-2,6-dione | Drug Info | [59] | |||
| 79 | 3-(4-Amino-phenyl)-3-hexyl-piperidine-2,6-dione | Drug Info | [59] | |||
| 80 | 3-(4-Amino-phenyl)-3-methyl-pyrrolidine-2,5-dione | Drug Info | [58] | |||
| 81 | 3-(4-Amino-phenyl)-3-pentyl-piperidine-2,6-dione | Drug Info | [59] | |||
| 82 | 3-(4-Amino-phenyl)-3-propyl-piperidine-2,6-dione | Drug Info | [59] | |||
| 83 | 3-(4-Amino-phenyl)-pyrrolidine-2,5-dione | Drug Info | [58] | |||
| 84 | 3-(4-methyl-3,4-dihydronaphthalen-2-yl)pyridine | Drug Info | [56] | |||
| 85 | 3-(5-Bromo-6-methoxy-naphthalen-2-yl)-pyridine | Drug Info | [48] | |||
| 86 | 3-(5-Chloro-6-methoxy-naphthalen-2-yl)-pyridine | Drug Info | [48] | |||
| 87 | 3-(6-Ethoxy-naphthalen-2-yl)-pyridine | Drug Info | [48] | |||
| 88 | 3-(6-methoxy-3,4-dihydronaphthalen-2-yl)pyridine | Drug Info | [56] | |||
| 89 | 3-(6-methoxynaphthalen-2-yl)pyridine | Drug Info | [60] | |||
| 90 | 3-(imidazolylmethyl)-4'-methoxyflavone | Drug Info | [61] | |||
| 91 | 3-(imidazolylmethyl)-4'-nitroflavone | Drug Info | [61] | |||
| 92 | 3-(imidazolylmethyl)-7-methoxy-4'-nitroflavone | Drug Info | [61] | |||
| 93 | 3-(imidazolylmethyl)flavone | Drug Info | [61] | |||
| 94 | 3-(naphthalen-2-yl)pyridine | Drug Info | [60] | |||
| 95 | 3-Amino-4'-amino-trans-stilbene | Drug Info | [49] | |||
| 96 | 3-Fluoren-9-ylidenemethyl-pyridine | Drug Info | [57] | |||
| 97 | 3-Fluoro-4'-(pyridin-4-ylmethyl)biphenyl-4-ol | Drug Info | [62] | |||
| 98 | 3-Indan-(1E)-ylidenemethyl-pyridine | Drug Info | [57] | |||
| 99 | 3-Indan-(1Z)-ylidenemethyl-pyridine | Drug Info | [57] | |||
| 100 | 3-Methoxyl-4'-amino-trans-stilbene | Drug Info | [49] | |||
| 101 | 3-Nitro-4'-nitro-trans-stilbene | Drug Info | [49] | |||
| 102 | 3-[3-Methyl-indan-(1E)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 103 | 3-[3-Methyl-indan-(1Z)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 104 | 3-[3-Phenyl-indan-(1E)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 105 | 3-[4-Chloro-indan-(1E)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 106 | 3-[4-Chloro-indan-(1Z)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 107 | 3-[4-Fluoro-indan-(1E)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 108 | 3-[4-Fluoro-indan-(1Z)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 109 | 3-[4-Methyl-indan-(1E)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 110 | 3-[4-Methyl-indan-(1Z)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 111 | 3-[5-Bromo-indan-(1E)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 112 | 3-[5-Bromo-indan-(1Z)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 113 | 3-[5-Chloro-indan-(1E)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 114 | 3-[5-Chloro-indan-(1Z)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 115 | 3-[5-Ethoxy-indan-(1E)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 116 | 3-[5-Ethoxy-indan-(1Z)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 117 | 3-[5-Fluoro-indan-(1E)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 118 | 3-[5-Fluoro-indan-(1Z)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 119 | 3-[5-Methoxy-indan-(1E)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 120 | 3-[5-Methoxy-indan-(1Z)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 121 | 3-[6-Methoxy-indan-(1E)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 122 | 3-[6-Methyl-indan-(1E)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 123 | 3-[6-Methyl-indan-(1Z)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 124 | 3-[7-Methoxy-indan-(1E)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 125 | 4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diol | Drug Info | [62] | |||
| 126 | 4'-(Pyridin-4-ylmethyl)biphenyl-3-amine | Drug Info | [62] | |||
| 127 | 4'-bromo-3-(imidazolylmethyl)-7-methoxyflavone | Drug Info | [61] | |||
| 128 | 4'-bromo-3-(imidazolylmethyl)flavone | Drug Info | [61] | |||
| 129 | 4'-cyano-3-(imidazolylmethyl)-7-methoxyflavone | Drug Info | [61] | |||
| 130 | 4'-cyano-3-(imidazolylmethyl)flavone | Drug Info | [61] | |||
| 131 | 4-((1H-imidazol-1-yl)methyl)-2H-chromen-2-one | Drug Info | [46] | |||
| 132 | 4-((1H-imidazol-1-yl)methyl)benzonitrile | Drug Info | [50] | |||
| 133 | 4-(1-Imidazol-1-yl-vinyl)-benzonitrile | Drug Info | [63] | |||
| 134 | 4-(2,2-Diphenyl-vinyl)-pyridine | Drug Info | [57] | |||
| 135 | 4-(2-(1H-imidazol-1-yl)ethoxy)-2H-chromen-2-one | Drug Info | [46] | |||
| 136 | 4-(3,4,5-Trimethoxyphenethyl)aniline | Drug Info | [49] | |||
| 137 | 4-(3,4-Dimethoxyphenethyl)aniline | Drug Info | [49] | |||
| 138 | 4-(3,5-Dimethoxyphenethyl)benzenamine | Drug Info | [49] | |||
| 139 | 4-ANDROSTENE-3-17-DIONE | Drug Info | [64], [65] | |||
| 140 | 4-Bromo-1-imidazol-1-ylmethyl-xanthen-9-one | Drug Info | [52] | |||
| 141 | 4-Fluoren-9-ylidenemethyl-pyridine | Drug Info | [57] | |||
| 142 | 4-Imidazol-1-yl-2-phenyl-chroman-7-ol | Drug Info | [51] | |||
| 143 | 4-Imidazol-1-ylmethyl-1-nitro-xanthen-9-one | Drug Info | [52] | |||
| 144 | 4-Imidazol-1-ylmethyl-1-nitrothioxanthen-9-one | Drug Info | [47] | |||
| 145 | 4-Imidazol-1-ylmethyl-2-nitroxanthen-9-one | Drug Info | [47] | |||
| 146 | 4-Imidazol-1-ylmethyl-3-nitroxanthen-9-one | Drug Info | [47] | |||
| 147 | 4-Imidazol-1-ylmethylthioxanthen-9-one | Drug Info | [47] | |||
| 148 | 4-Imidazol-1-ylmethylxanthen-9-one | Drug Info | [47] | |||
| 149 | 4-Indan-(1E)-ylidenemethyl-pyridine | Drug Info | [57] | |||
| 150 | 4-Indan-(1Z)-ylidenemethyl-pyridine | Drug Info | [57] | |||
| 151 | 4-[(3'-Hydroxybiphenyl-4-yl)methyl]pyridine | Drug Info | [62] | |||
| 152 | 4-[(4'-Hydroxybiphenyl-4-yl)methyl]pyridine | Drug Info | [62] | |||
| 153 | 4-[5-Bromo-indan-(1Z)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 154 | 4-[5-Chloro-indan-(1E)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 155 | 4-[5-Chloro-indan-(1Z)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 156 | 4-[5-Fluoro-indan-(1E)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 157 | 4-[5-Fluoro-indan-(1Z)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 158 | 4-[5-Methoxy-indan-(1E)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 159 | 4-[5-Methoxy-indan-(1Z)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 160 | 4-[6-Methoxy-indan-(1E)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 161 | 4-[6-Methoxy-indan-(1Z)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 162 | 4-[6-Methyl-indan-(1E)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 163 | 4-[6-Methyl-indan-(1Z)-ylidenemethyl]-pyridine | Drug Info | [57] | |||
| 164 | 5-((1H-imidazol-1-yl)methyl)-7,8-dihydroquinoline | Drug Info | [46] | |||
| 165 | 5-(2-(1H-imidazol-1-yl)ethyl)quinoline | Drug Info | [46] | |||
| 166 | 5-Bromo-8-imidazol-1-ylmethyl-chromen-4-one | Drug Info | [52] | |||
| 167 | 5-Indan-(1E)-ylidenemethyl-1H-imidazole | Drug Info | [66] | |||
| 168 | 5-Indan-(1Z)-ylidenemethyl-1H-imidazole | Drug Info | [66] | |||
| 169 | 5-Pyridin-3-yl-1,3-dihydro-2H-indol-2-one | Drug Info | [60] | |||
| 170 | 5-Pyridin-3-yl-2,3-dihydro-1H-inden-1-one | Drug Info | [60] | |||
| 171 | 5-[5-Bromo-indan-(1E)-ylidenemethyl]-1H-imidazole | Drug Info | [66] | |||
| 172 | 5-[5-Bromo-indan-(1Z)-ylidenemethyl]-1H-imidazole | Drug Info | [66] | |||
| 173 | 5-[5-Fluoro-indan-(1E)-ylidenemethyl]-pyrimidine | Drug Info | [57] | |||
| 174 | 5-[5-Fluoro-indan-(1Z)-ylidenemethyl]-pyrimidine | Drug Info | [57] | |||
| 175 | 5-[5-Methoxy-indan-(1E)-ylidenemethyl]-thiazole | Drug Info | [57] | |||
| 176 | 5-[5-Methoxy-indan-(1Z)-ylidenemethyl]-thiazole | Drug Info | [57] | |||
| 177 | 6-((1H-imidazol-1-yl)methyl)-2H-chromene-2-thione | Drug Info | [46] | |||
| 178 | 6-Imidazol-1-yl-isoquinoline | Drug Info | [46] | |||
| 179 | 7,4'-Dihydroxyflavone | Drug Info | [31] | |||
| 180 | 7-((1H-imidazol-1-yl)methyl)-2H-chromen-2-one | Drug Info | [46] | |||
| 181 | 7-((1H-imidazol-1-yl)methyl)-4H-chromen-4-one | Drug Info | [46] | |||
| 182 | 7-((1H-imidazol-1-yl)methyl)isoquinoline | Drug Info | [46] | |||
| 183 | 7-(2-(1H-imidazol-1-yl)ethoxy)-2H-chromen-2-one | Drug Info | [67] | |||
| 184 | 7-hydroxy-2-(3-hydroxyphenyl)chroman-4-one | Drug Info | [43] | |||
| 185 | 7-hydroxy-2-phenylchroman-4-one | Drug Info | [43] | |||
| 186 | 7-[1,2,4]Triazol-4-ylmethyl-chromen-4-one | Drug Info | [52] | |||
| 187 | 8-Imidazol-1-ylmethyl-5-nitro-chromen-4-one | Drug Info | [52] | |||
| 188 | 9-Hydroxy-7,8-benzoflavone | Drug Info | [31] | |||
| 189 | ALBANOL A | Drug Info | [44] | |||
| 190 | ALPHA-NAPHTHOFLAVONE | Drug Info | [31] | |||
| 191 | ANDROSTENEDONE | Drug Info | [68] | |||
| 192 | APIGENIN | Drug Info | [31] | |||
| 193 | Benzyl-biphenyl-4-ylmethyl-imidazol-1-yl-amine | Drug Info | [45] | |||
| 194 | biochanin A | Drug Info | [31] | |||
| 195 | Broussoflavonol F | Drug Info | [44] | |||
| 196 | CGS-18320B | Drug Info | [31] | |||
| 197 | Chrysin | Drug Info | [31] | |||
| 198 | DEHYDROLEUCODIN | Drug Info | [31] | |||
| 199 | Docosapentaenoic acid | Drug Info | [69] | |||
| 200 | flavone | Drug Info | [31] | |||
| 201 | Gamma-mangostin | Drug Info | [70] | |||
| 202 | GARCINONE D | Drug Info | [70] | |||
| 203 | GOSSYPETIN | Drug Info | [71] | |||
| 204 | Isogemichalcone C | Drug Info | [44] | |||
| 205 | ISOLICOFLAVONOL | Drug Info | [44] | |||
| 206 | LIQUIRTIGENIN | Drug Info | [71] | |||
| 207 | LUDARTIN | Drug Info | [31] | |||
| 208 | MDL-18962 | Drug Info | [72] | |||
| 209 | MONODICTYOCHROMONE B | Drug Info | [73] | |||
| 210 | MORACHALCONE A | Drug Info | [44] | |||
| 211 | MR-16089 | Drug Info | [31] | |||
| 212 | MR-20492 | Drug Info | [31] | |||
| 213 | MR-20494 | Drug Info | [31] | |||
| 214 | MR-20496 | Drug Info | [74] | |||
| 215 | MR-20814 | Drug Info | [74] | |||
| 216 | N-(2-benzyloxy-4-nitrophenyl)methanesulfonamide | Drug Info | [75] | |||
| 217 | N-(2-hexyloxy-4-nitrophenyl)methanesulfonamide | Drug Info | [76] | |||
| 218 | N-(2-nonyloxy-4-nitrophenyl)methanesulfonamide | Drug Info | [76] | |||
| 219 | N-(2-Propyloxy-4-nitrophenyl)methanesulfonamide | Drug Info | [76] | |||
| 220 | N-[2-(4'-Nitrophenyl)ethyl]-imidazole | Drug Info | [31] | |||
| 221 | NSC-122427 | Drug Info | [77] | |||
| 222 | NSC-12999 | Drug Info | [46] | |||
| 223 | NSC-131736 | Drug Info | [46] | |||
| 224 | NSC-289311 | Drug Info | [46] | |||
| 225 | NSC-356483 | Drug Info | [46] | |||
| 226 | NSC-356781 | Drug Info | [46] | |||
| 227 | NSC-368272 | Drug Info | [46] | |||
| 228 | NSC-368280 | Drug Info | [46] | |||
| 229 | NSC-369087 | Drug Info | [46] | |||
| 230 | NSC-613604 | Drug Info | [77] | |||
| 231 | NSC-625409 | Drug Info | [46] | |||
| 232 | NSC-666292 | Drug Info | [46] | |||
| 233 | NSC-683634 | Drug Info | [46] | |||
| 234 | NSC-75308 | Drug Info | [46] | |||
| 235 | NSC-93358 | Drug Info | [77] | |||
| 236 | NSC-94258 | Drug Info | [31] | |||
| 237 | NSC-94891 | Drug Info | [77] | |||
| Modulator | [+] 2 Modulator drugs | + | ||||
| 1 | Atamestane + Toremifene | Drug Info | [30] | |||
| 2 | Org-33201 | Drug Info | [78] | |||
| Chemical Structure based Activity Landscape of Target | Top |
|---|---|
| Drug Property Profile of Target | Top | |
|---|---|---|
| (1) Molecular Weight (mw) based Drug Clustering | (2) Octanol/Water Partition Coefficient (xlogp) based Drug Clustering | |
|
|
||
| (3) Hydrogen Bond Donor Count (hbonddonor) based Drug Clustering | (4) Hydrogen Bond Acceptor Count (hbondacc) based Drug Clustering | |
|
|
||
| (5) Rotatable Bond Count (rotbonds) based Drug Clustering | (6) Topological Polar Surface Area (polararea) based Drug Clustering | |
|
|
||
| "RO5" indicates the cutoff set by lipinski's rule of five; "D123AB" colored in GREEN denotes the no violation of any cutoff in lipinski's rule of five; "D123AB" colored in PURPLE refers to the violation of only one cutoff in lipinski's rule of five; "D123AB" colored in BLACK represents the violation of more than one cutoffs in lipinski's rule of five | ||
| Co-Targets | Top | |||||
|---|---|---|---|---|---|---|
| Co-Targets | ||||||
| Target Poor or Non Binders | Top | |||||
|---|---|---|---|---|---|---|
| Target Poor or Non Binders | ||||||
| Target Regulators | Top | |||||
|---|---|---|---|---|---|---|
| Target-regulating microRNAs | ||||||
| Target-regulating Transcription Factors | ||||||
| Target Affiliated Biological Pathways | Top | |||||
|---|---|---|---|---|---|---|
| BioCyc | [+] 3 BioCyc Pathways | + | ||||
| 1 | Superpathway of steroid hormone biosynthesis | |||||
| 2 | Estradiol biosynthesis II | |||||
| 3 | Estradiol biosynthesis I | |||||
| KEGG Pathway | [+] 3 KEGG Pathways | + | ||||
| 1 | Steroid hormone biosynthesis | |||||
| 2 | Metabolic pathways | |||||
| 3 | Ovarian steroidogenesis | |||||
| NetPath Pathway | [+] 1 NetPath Pathways | + | ||||
| 1 | FSH Signaling Pathway | |||||
| Panther Pathway | [+] 1 Panther Pathways | + | ||||
| 1 | Androgen/estrogene/progesterone biosynthesis | |||||
| Pathwhiz Pathway | [+] 1 Pathwhiz Pathways | + | ||||
| 1 | Androgen and Estrogen Metabolism | |||||
| Reactome | [+] 1 Reactome Pathways | + | ||||
| 1 | Endogenous sterols | |||||
| WikiPathways | [+] 8 WikiPathways | + | ||||
| 1 | Metapathway biotransformation | |||||
| 2 | Tryptophan metabolism | |||||
| 3 | Oxidation by Cytochrome P450 | |||||
| 4 | Ovarian Infertility Genes | |||||
| 5 | Metabolism of steroid hormones and vitamin D | |||||
| 6 | FSH signaling pathway | |||||
| 7 | Integrated Breast Cancer Pathway | |||||
| 8 | Phase 1 - Functionalization of compounds | |||||
| Target-Related Models and Studies | Top | |||||
|---|---|---|---|---|---|---|
| Target Validation | ||||||
| Target QSAR Model | ||||||
| References | Top | |||||
|---|---|---|---|---|---|---|
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