Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D07PHT
|
||||
| Former ID |
DNC008681
|
||||
| Drug Name |
NSC-289311
|
||||
| Drug Type |
Small molecular drug
|
||||
| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C18H16Cl2N2OS
|
||||
| Canonical SMILES |
COC1=CC=C(C=C1)C(CN2C=CN=C2)SC3=CC(=C(C=C3)Cl)Cl.C(=O)(<br />C(=O)O)O
|
||||
| InChI |
1S/C18H16Cl2N2OS.C2H2O4/c1-23-14-4-2-13(3-5-14)18(11-22-9-8-21-12-22)24-15-6-7-16(19)17(20)10-15;3-1(4)2(5)6/h2-10,12,18H,11H2,1H3;(H,3,4)(H,5,6)
|
||||
| InChIKey |
MSIXIAUYGGBRKL-UHFFFAOYSA-N
|
||||
| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Cytochrome P450 19 | Target Info | Inhibitor | [1] | |
| 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 1 | J Med Chem. 2009 Jan 8;52(1):143-50.Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.