Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0K9YS
|
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| Former ID |
DNC008565
|
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| Drug Name |
EM1396
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C28H37NO4
|
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| Canonical SMILES |
CC1(CCC2(CCC3C2(CCC4C3CCC5=C4C=C(C(=C5)OCCOC)C#N)C)OC1=<br />O)C
|
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| InChI |
1S/C28H37NO4/c1-26(2)11-12-28(33-25(26)30)10-8-23-21-6-5-18-16-24(32-14-13-31-4)19(17-29)15-22(18)20(21)7-9-27(23,28)3/h15-16,20-21,23H,5-14H2,1-4H3/t20?,21?,23?,27-,28+/m0/s1
|
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| InChIKey |
DBERIEFIHOJVNL-RCDGTKSDSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Aldo-keto reductase family 1 member C3 | Target Info | Inhibitor | [1] | |
| BioCyc Pathway | Superpathway of steroid hormone biosynthesis | ||||
| Allopregnanolone biosynthesis | |||||
| Androgen biosynthesis | |||||
| KEGG Pathway | Steroid hormone biosynthesis | ||||
| Arachidonic acid metabolism | |||||
| Metabolic pathways | |||||
| Ovarian steroidogenesis | |||||
| NetPath Pathway | TGF_beta_Receptor Signaling Pathway | ||||
| PathWhiz Pathway | Arachidonic Acid Metabolism | ||||
| Reactome | Retinoid metabolism and transport | ||||
| WikiPathways | Metapathway biotransformation | ||||
| Benzo(a)pyrene metabolism | |||||
| Arachidonic acid metabolism | |||||
| References | |||||
| REF 1 | J Biol Chem. 2007 Mar 16;282(11):8368-79. Epub 2006 Dec 13.Structure-based inhibitor design for an enzyme that binds different steroids: a potent inhibitor for human type 5 17beta-hydroxysteroid dehydrogenase. | ||||
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