Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DX5X2I
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| Drug Name |
(1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[i]phenanthridine-1-carboxylic acid (4,4'-di-tert-butyl-biphenyl-3-yl)-amide
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| Synonyms |
CHEMBL87805
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C39H52N2O2
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)c2ccc(c(NC(=O)[C@H]3CCC4C5CNC6=CC(=O)CC[C@]6(C)C5CC[C@]34C)c2)C(C)(C)C
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| InChI |
InChI=1S/C39H52N2O2/c1-36(2,3)26-12-9-24(10-13-26)25-11-14-31(37(4,5)6)33(21-25)41-35(43)32-16-15-29-28-23-40-34-22-27(42)17-19-39(34,8)30(28)18-20-38(29,32)7/h9-14,21-22,28-30,32,40H,15-20,23H2,1-8H3,(H,41,43)/t28?,29?,30?,32-,38+,39-/m1/s1
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| InChIKey |
YNNSWQDWQWPZOM-NYSZNEGGSA-N
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| Target and Pathway | |||||
| Target(s) | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | Target Info | [1587926] | ||
| 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | Target Info | [1587926] | |||
| NetPath Pathway | IL2 Signaling Pathway | ||||
| PathWhiz Pathway | Androgen and Estrogen Metabolism | ||||
| References | |||||
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