Drug Information

Drug General Information
Drug ID
D04TBB
Former ID
DNC010804
Drug Name
11BETA,13-DIHYDRO-10-EPI-8-DEOXYCUMAM-BRIN B
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530867]
Structure
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2D MOL

3D MOL
Formula
C15H22O3
Canonical SMILES
CC1C2CCC(C3CC=C(C3C2OC1=O)C)(C)O
InChI
1S/C15H22O3/c1-8-4-5-11-12(8)13-10(6-7-15(11,3)17)9(2)14(16)18-13/h4,9-13,17H,5-7H2,1-3H3/t9-,10-,11+,12-,13-,15-/m0/s1
InChIKey
CWACFPQPFUIHTR-WBSYEDSCSA-N
PubChem Compound ID
10354739
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [530867]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis I
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesis
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Androgen and Estrogen Metabolism
Reactome Endogenous sterols
WikiPathways Metapathway biotransformation
Tryptophan metabolism
Oxidation by Cytochrome P450
Ovarian Infertility Genes
Metabolism of steroid hormones and vitamin D
FSH signaling pathway
Integrated Breast Cancer Pathway
Phase 1 - Functionalization of compounds
References
Ref 530867Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64. Epub 2010 Apr 8.Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19).
Ref 530867Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64. Epub 2010 Apr 8.Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19).

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