Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T92609 | Target Info | |||
| Target Name | Adrenergic receptor alpha-1A (ADRA1A) | ||||
| Synonyms |
Alpha-adrenergic receptor 1c; Alpha-1C adrenergic receptor; Alpha-1A adrenoreceptor; Alpha-1A adrenoceptor; Alpha-1A adrenergic receptor; Alpha adrenergic receptor 1c; Alpha 1A-adrenoreceptor; Alpha 1A-adrenoceptor; ADRA1C
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| Target Type | Successful Target | ||||
| Gene Name | ADRA1A | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 8 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
6-fluoro-noradrenaline
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Investigative | Compound Info | ||
| Synonyms |
6-fluoronorepinephrine; 6-fluoro-NE
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| Activity |
EC50 = 125000 nM
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[1] | |||
| Compound Name |
4-(2-Amino-1-hydroxyethyl)-3-fluorobenzene-1,2-diol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL287587; 2-Fluoronorepinephrine; 3-Fluoronorepinephrine; 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-3-fluoro-; DTXSID70991451; BDBM50019060; 3-Fluoro-4-(1-hydroxy-2-aminoethyl)pyrocatechol; Benzenethanamine, 2-fluoro-.beta.,3,4-trihydroxy-; 4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-1,2-diol; 4-(2-Amino-1-hydroxyethyl)-3-fluoro-1,2-benzenediol #; (+/-)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-1,2-diol; 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-3-fluoro-, (+-)-; 4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-1,2-diol(2-FNE)
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| Activity |
Ki ~ 50000 nM
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[1] | |||
| Compound Name |
N-(5-Bromoquinoxalin-6-yl)-4,5-dihydro-1,3-oxazol-2-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL73164; BDBM50213346
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| Activity |
Ki = 91201.08 nM
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[2] | |||
| Compound Name |
2-Propenamide, 2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)-
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Investigative | Compound Info | ||
| Synonyms |
AG 556; AG-556; CHEMBL440298; (E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)acrylamide; (E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)prop-2-enamide; Tyrphostin B56; 2-Cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)acrylamide; Tyrphostin AG556; SR-01000597669; Tyrphostin AG-556; Tocris-0616; Tyrphostin deriv. 56; BDBM4308; SCHEMBL2533402; alpha-Cyano-(3,4-dihydroxy)-N-(4-phenylbutyl)cinnamide; HMS3414I03; HMS3678I03; ZINC2557954; HSCI1_000058; AKOS024458582; NCGC00024686-01; B6376; J-006405; SR-01000597669-1; SR-01000597669-2; BRD-K81048131-001-01-6; N-(4-Phenylbutyl)-3,4-dihydroxybenzylidene-cyanoacetamide; (2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)prop-2-enamide; 2-Propenamide,2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)-,(2E)-; (E)-2-CYANO-3-(3,4-DIHYDROXYPHENYL)-N-(4-PHENYLBUTYL)-2-PROPENAMIDE
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| Activity |
IC50 ~ 100000 nM
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[3] | |||
| Compound Name |
(2E)-3-(4-Hydroxyphenyl)-N-(4-phenylbutyl)acrylamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL115388; N-p-coumaroyl 4-phenylbutylamine; ZINC2022400; BDBM50080011; N-(4-Phenylbutyl)-4-hydroxy-trans-cinnamamide
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| Activity |
IC50 ~ 100000 nM
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[3] | |||
| Compound Name |
1-(4-Benzylpiperidin-1-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL113919; BDBM50080016; (E)-1-(4-Benzyl-piperidin-1-yl)-3-(4-hydroxy-phenyl)-propenone; (E)-1-(4-benzylpiperidin-1-yl)-3-(4-hydroxy-phenyl)-propenone
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| Activity |
IC50 ~ 100000 nM
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[3] | |||
| Compound Name |
(2E)-3-(2,4-Dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL113990; BDBM50080023
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| Activity |
IC50 ~ 100000 nM
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[3] | |||
| Compound Name |
4-(4,5-Dihydro-1,3-oxazol-2-yl)morpholine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL75201; 2-Morpholino-2-oxazoline; SCHEMBL11738855; CTK1J5480; DTXSID50612910; BDBM50212994; Morpholine, 4-(4,5-dihydro-2-oxazolyl)-
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| Activity |
Ki = 107151.93 nM
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[4] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 22 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Phenylpropanolamine
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Investigative | Compound Info | ||
| Synonyms |
2-Amino-1-phenyl-1-propanol; 2-amino-1-phenylpropan-1-ol; (1S,2R)-(+)-Norephedrine; alpha-(1-aminoethyl)benzyl alcohol; NSC-120735; Demazin; Contac; Ornade; Benzenemethanol, .alpha.-(1-aminoethyl)-; dl-Norephedrine; TAVIST-D; Norpseudoephedrine, (+)-; CHEMBL136560; 2-Amino-1-phenyl-1-propanol #; Benzenemethanol, .alpha.-[(1S)-1-aminoethyl]-, (.alpha.S)-; Benzenemethanol, .alpha.-[(1R)-1-aminoethyl]-, (.alpha.R)-rel-; 2-Amino-2-methyl-1-phenylethanol; Phenylpropanolamine (mixed isomers); 2-Amino-1-hydroxy-1-phenylpropane; Norephedrine, (+); Norephedrine, (-); beta-Hydroxy-alpha-methylphenethylamine; Benzenemethanol, alpha-(1-aminoethyl)-; 1-phenyl-2-aminopropanol; Benzenemethanol, .alpha.-(1-aminoethyl)-, [R-(R*,S*)]-; Benzenemethanol, .alpha.-(1-aminoethyl)-, [S-(R*,R*)]-; SCHEMBL98589; Benzenemethanol, .alpha.-[(1S)-1-aminoethyl]-, (.alpha.R)-; Norephedrine, (.+/-.)-; CHEMBL61006; DivK1c_000795; 2-amino-1-phenylpropane-1-ol; (1s, 2r)-(+)-norephedrine; 2-Amino-1-phenyl-propan-1-ol; (1 S,2R)-(+)-norephedrine; CTK7J6381; KBio1_000795; DTXSID70859305; NINDS_000795; (1S, 2R )-(+)-norephedrine; (+)2-Amino-1-phenyl-propan-1-ol; BDBM50022722; Benzenemethanol, .alpha.-[(1R)-1-aminoethyl]-, (.alpha.S)-rel-; NSC120735; AKOS015891154; MCULE-9503580838; IDI1_000795; Pseudonorephedrine, (+) [cathine, (+)]; Pseudonorephedrine, (-) [cathine, (-)]; BENZENEMETHANOL, A-(1-AMINOETHYL)-; DB-042930; DB-069567; DS-010163; (1R, 2R)-2-Amino-1-phenyl-propan-1-ol; (1R, 2S)-2-Amino-1-phenyl-propan-1-ol; (1S, 2R)-2-Amino-1-phenyl-propan-1-ol; (1S, 2S)-2-Amino-1-phenyl-propan-1-ol; 24136-EP2269989A1; 24136-EP2272825A2; 24136-EP2281815A1; 24136-EP2295406A1; 24136-EP2295409A1; 24136-EP2298772A1; 24136-EP2298776A1; 24136-EP2298779A1; 24136-EP2301933A1; 24136-EP2305640A2; 24136-EP2308839A1; 24136-EP2311827A1; 24136-EP2314590A1; 492A411; L001077; Benzenemethanol, .alpha.-[(1R)-1-aminoethyl]-, (.alpha.R)-; Benzenemethanol, .alpha.-(1-aminoethyl)-, (R*,S*)-(.+/-.)-
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| Activity |
EC50 = 230000 nM
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[5] | |||
| Compound Name |
(4As,5R,10bR)-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]isoquinoline-7,8-diol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1224527; BDBM50325822; trans-(5R)-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]isoquinoline-7,8-diol
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| Activity |
Ki = 340000 nM
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[6] | |||
| Compound Name |
3-[2-[4-(4-Propan-2-ylphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL100434; BDBM50418771
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| Activity |
Ki = 7.76E+13 nM
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[7] | |||
| Compound Name |
3-[2-(2,4,4a,5-Tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL95605
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| Activity |
Ki = 1.26E+14 nM
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[7] | |||
| Compound Name |
2-Methyl-3-[2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]-5H-pyrimido[5,4-b]indol-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL100481
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| Activity |
Ki = 2.82E+14 nM
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[7] | |||
| Compound Name |
3-[2-[4-(4-Tert-butylphenyl)piperazin-1-yl]ethyl]-2-methyl-5H-pyrimido[5,4-b]indol-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL317556
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| Activity |
Ki = 1.66E+15 nM
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[7] | |||
| Compound Name |
3-[2-[4-(4-Cyclohexylphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL99397
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| Activity |
Ki = 1.00E+16 nM
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[7] | |||
| Compound Name |
2-Ethyl-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5H-pyrimido[5,4-b]indol-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL329971
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| Activity |
Ki = 2.04E+16 nM
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[7] | |||
| Compound Name |
3-{3-[4-(2-Methoxyphenyl)piperazin-1-yl]propyl}-3,5-dihydro-4h-pyrimido[5,4-b]indol-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL98807; CTK7B1317
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| Activity |
Ki = 6.03E+16 nM
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[7] | |||
| Compound Name |
2-Ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5H-pyrimido[5,4-b]indol-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL99979
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| Activity |
Ki = 9.33E+16 nM
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[7] | |||
| Compound Name |
3-[2-[4-(4-Tert-butylphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL319972; BDBM50418745
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| Activity |
Ki = 1.00E+17 nM
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[7] | |||
| Compound Name |
3-[2-[4-(2-Ethoxyphenyl)piperazin-1-yl]ethyl]-5H-pyrimido[5,4-b]indol-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL433014
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| Activity |
Ki = 1.02E+17 nM
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[7] | |||
| Compound Name |
3-[2-[4-(2-Hydroxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL99879
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| Activity |
Ki = 1.12E+17 nM
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[7] | |||
| Compound Name |
3-[2-[4-(2-Ethoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL317555
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| Activity |
Ki = 1.38E+17 nM
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[7] | |||
| Compound Name |
3-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propyl]-2-methyl-5H-pyrimido[5,4-b]indol-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL316677
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| Activity |
Ki = 2.04E+17 nM
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[7] | |||
| Compound Name |
3-[2-[4-(2-Chlorophenyl)-1-piperazinyl]ethyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL57163; SCHEMBL12648691; BDBM50006954; 2-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethyl}-4,9-dihydro-2,4,9-triaza-fluorene-1,3-dione; 3-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethyl}-1,5-dihydro-pyrimido[5,4-b]indole-2,4-dione
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| Activity |
Ki = 2.14E+17 nM
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[7] | |||
| Compound Name |
3-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-5H-pyrimido[5,4-b]indol-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL99142; BDBM50476084
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| Activity |
Ki = 3.31E+17 nM
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[7] | |||
| Compound Name |
3-[2-[4-(2-Methoxyphenyl)piperidin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL99761
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| Activity |
Ki = 6.46E+17 nM
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[7] | |||
| Compound Name |
3-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]-5H-pyrimido[5,4-b]indol-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL433203
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| Activity |
Ki = 7.08E+17 nM
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[7] | |||
| Compound Name |
3-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
3-MPPI; CHEMBL301707; NCGC00024664-01; Tocris-0581; Biomol-NT_000127; BPBio1_000310; HMS3266M22; HMS3411G12; HMS3675G12; BDBM50006952; ZINC29486259; AKOS024458570; NCGC00024664-02; NCGC00024664-03; B6361; SR-01000597636; J-006367; SR-01000597636-1; BRD-K62581435-001-01-2; BRD-K62581435-001-02-0; Q27195293
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| Activity |
Ki = 3.72E+18 nM
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[7] | |||
| Compound Name |
3-[2-[4-(4-Propan-2-ylphenyl)piperazin-1-yl]ethyl]-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL95986
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| Activity |
Ki = 1.00E+27 nM
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[7] | |||
| Compound Name |
3-[2-[4-(4-Butylphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL330198; BDBM50418772
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| Activity |
Ki = 1.00E+28 nM
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[7] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Syntheses and adrenergic activities of ring-fluorinated epinephrines. J Med Chem. 1988 Oct;31(10):1972-7. | ||||
| REF 2 | Pharmacological evaluation of UK-14,304 analogs at cloned human alpha adrenergic receptors. Bioorg Med Chem Lett. 1995 Oct 5;5(19):2255-8. | ||||
| REF 3 | Structure-activity relationship of N-(phenylalkyl)cinnamides as novel NR2B subtype-selective NMDA receptor antagonists. J Med Chem. 1999 Aug 26;42(17):3412-20. | ||||
| REF 4 | A convenient synthesis of 2-amino-2-oxazolines and their pharmacological evaluation at cloned human alpha adrenergic receptors. Bioorg Med Chem Lett. 1994 Oct 6;4(19):2317-22. | ||||
| REF 5 | N-[3-(1H-imidazol-4-ylmethyl)phenyl]ethanesulfonamide (ABT-866, 1),(1) a novel alpha(1)-adrenoceptor ligand with an enhanced in vitro and in vivo profile relative to phenylpropanolamine and midodrine. J Med Chem. 2002 Sep 26;45(20):4395-7. | ||||
| REF 6 | Facile synthesis of octahydrobenzo[h]isoquinolines: novel and highly potent D1 dopamine agonists. Bioorg Med Chem. 2010 Sep 15;18(18):6763-70. | ||||
| REF 7 | New pyrimido[5,4-b]indoles as ligands for alpha(1)-adrenoceptor subtypes. J Med Chem. 2003 Jul 3;46(14):2877-94. | ||||
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