Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0ZR1V
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| Former ID |
DNC008566
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| Drug Name |
EM-1424
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| Synonyms |
CHEMBL490978
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | 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)C(=O)ON)OCCOC)C)OC1=O)C
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| InChI |
1S/C28H39NO6/c1-26(2)11-12-28(34-25(26)31)10-8-22-19-6-5-17-15-23(33-14-13-32-4)21(24(30)35-29)16-20(17)18(19)7-9-27(22,28)3/h15-16,18-19,22H,5-14,29H2,1-4H3/t18?,19?,22?,27-,28+/m0/s1
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| InChIKey |
CUTJLDJFYWQIRX-LFCNJKSUSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Dihydrodiol dehydrogenase type I (AKR1C3) | Target Info | Inhibitor | [1] |
| BioCyc | 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Structure-based inhibitor design for an enzyme that binds different steroids: a potent inhibitor for human type 5 17beta-hydroxysteroid dehydrogenase. J Biol Chem. 2007 Mar 16;282(11):8368-79. | |||
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