Drug Information

Drug General Information
Drug ID
D0R4WW
Former ID
DNC004512
Drug Name
MR-20496
Drug Type
Small molecular drug
Indication Discovery agent Investigative [534789]
Structure
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2D MOL

3D MOL
Formula
C21H15NO
Canonical SMILES
C1=CC=C(C=C1)C2C3=CC=CC=C3C(=O)C2=CC4=CC=NC=C4
InChI
1S/C21H15NO/c23-21-18-9-5-4-8-17(18)20(16-6-2-1-3-7-16)19(21)14-15-10-12-22-13-11-15/h1-14,20H/b19-14-
InChIKey
ALLOQIRZHVQYIA-RGEXLXHISA-N
PubChem Compound ID
44265823
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [534789]
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 534789Bioorg Med Chem Lett. 1998 May 5;8(9):1041-4.Design and synthesis of a new type of non steroidal human aromatase inhibitors.
Ref 534789Bioorg Med Chem Lett. 1998 May 5;8(9):1041-4.Design and synthesis of a new type of non steroidal human aromatase inhibitors.

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