Drug Information
Drug General Information | Top | |||
---|---|---|---|---|
Drug ID |
D04TBB
|
|||
Former ID |
DNC010804
|
|||
Drug Name |
11BETA,13-DIHYDRO-10-EPI-8-DEOXYCUMAM-BRIN B
|
|||
Synonyms |
CHEMBL1097371; 11beta,13-Dihydro-10-epi-8-deoxycumam-brin B; BDBM50318411; LS-23585; 11betaH,13-Dihydro-10-epi-8-deoxycumambrin B
Click to Show/Hide
|
|||
Drug Type |
Small molecular drug
|
|||
Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D 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 |
Target and Pathway | Top | |||
---|---|---|---|---|
Target(s) | Aromatase (CYP19A1) | Target Info | Inhibitor | [1] |
BioCyc | 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 | Top | |||
---|---|---|---|---|
REF 1 | Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64. |
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.