Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DX7LLR
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| Drug Name |
CHEMBL414041
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| Synonyms |
(4R)-4-[(1S,2S,7S,9R,10R,11S,14R,15R,16S)-9-({[2-({4-[(10S,11S,14R,15S,17R)-14-ethynyl-14-hydroxy-15-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-17-yl]phenyl}(methyl)amino)ethyl]carbamoyl}oxy)-5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C54H74N2O8
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| Canonical SMILES |
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4CC(O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCCN(C)c5ccc(cc5)[C@H]6C[C@@]7(C)[C@@H](CC[C@@]7(O)C#C)[C@@H]8CCC9=CC(=O)CCC9=C68
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| InChI |
InChI=1S/C54H74N2O8/c1-7-54(63)23-21-42-39-15-11-33-26-36(57)14-16-38(33)48(39)40(30-52(42,54)4)32-9-12-35(13-10-32)56(6)25-24-55-50(62)64-45-28-34-27-37(58)20-22-51(34,3)44-29-46(59)53(5)41(17-18-43(53)49(44)45)31(2)8-19-47(60)61/h1,9-10,12-13,26,31,34,37,39-46,49,58-59,63H,8,11,14-25,27-30H2,2-6H3,(H,55,62)(H,60,61)/t31-,34+,37?,39+,40-,41-,42+,43+,44+,45-,46+,49+,51+,52+,53-,54+/m1/s1
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| InChIKey |
YJQZIBMOUFVTHS-MESGNEMJSA-N
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| Target and Pathway | |||||
| Target(s) | Progesterone receptor | Target Info | [1587926] | ||
| mRNA of androgen receptor | Target Info | [1587926] | |||
| Pathway Interaction Database | Cellular roles of Anthrax toxinsmad2_3nuclearpathway:Regulation of nuclear SMAD2/3 signaling | ||||
| Coregulation of Androgen receptor activity | |||||
| Regulation of Androgen receptor activity | |||||
| Nongenotropic Androgen signaling | |||||
| Regulation of nuclear beta catenin signaling and target gene transcription | |||||
| FOXA1 transcription factor network | |||||
| Notch-mediated HES/HEY network | |||||
| References | |||||
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