Drug Information

Drug General Information
Drug ID
D0ZR1V
Former ID
DNC008566
Drug Name
EM-1424
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528576]
Structure
Download
2D MOL

3D MOL
Formula
C28H39NO6
Canonical SMILES
CC1(CCC2(CCC3C2(CCC4C3CCC5=CC(=C(C=C45)OC(=O)N)OCCOC)C)<br />OC1=O)C
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
InChIKey
MSJRJLMALIAVGV-ROJWSESWSA-N
PubChem Compound ID
44576210
Target and Pathway
Target(s) Aldo-keto reductase family 1 member C3 Target Info Inhibitor [528576]
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 528576J 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.
Ref 528576J 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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