Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0M4CX
|
|||
| Former ID |
DNC009931
|
|||
| Drug Name |
NSC-613604
|
|||
| Synonyms |
NSC-613604; CHEMBL572637; 5-(4-chlorophenylamino)-2-methyl-9-nitro-5H-chromeno[4,3-b]pyridine-3-carbonitrile; NSC613604; AC1Q21JI; AC1L78ZM; BDBM50298486; 5-(4-chloroanilino)-2-methyl-9-nitro-5H-chromeno[4,3-b]pyridine-3-carbonitrile
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C20H13ClN4O3
|
|||
| Canonical SMILES |
CC1=NC2=C(C=C1C#N)C(OC3=C2C=C(C=C3)[N+](=O)[O-])NC4=CC=C(C=C4)Cl
|
|||
| InChI |
1S/C20H13ClN4O3/c1-11-12(10-22)8-17-19(23-11)16-9-15(25(26)27)6-7-18(16)28-20(17)24-14-4-2-13(21)3-5-14/h2-9,20,24H,1H3
|
|||
| InChIKey |
DAHDDFCIAFXETP-UHFFFAOYSA-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 | An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitors. Eur J Med Chem. 2009 Oct;44(10):4121-7. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.