Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0ZR1V
|
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| Former ID |
DNC008566
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| Drug Name |
EM-1424
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C28H39NO6
|
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| Canonical SMILES |
CC1(CCC2(CCC3C2(CCC4C3CCC5=CC(=C(C=C45)OC(=O)N)OCCOC)C)<br />OC1=O)C
|
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| InChI |
1S/C28H39NO6/c1-26(2)11-12-28(35-24(26)30)10-8-21-19-6-5-17-15-22(33-14-13-32-4)23(34-25(29)31)16-20(17)18(19)7-9-27(21,28)3/h15-16,18-19,21H,5-14H2,1-4H3,(H2,29,31)/t18-,19+,21-,27-,28+/m0/s1
|
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| InChIKey |
MSJRJLMALIAVGV-ROJWSESWSA-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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