Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0P5ZV
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| Former ID |
DNC009930
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| Drug Name |
NSC-94891
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| Synonyms |
NSC-94891; CHEMBL574960; AC1L668K; CTK7H3473; BDBM50298485
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C19H26O3
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| Canonical SMILES |
CC1C2C3CCC(=O)C3(CCC2C4(CCC(=O)C=C1O4)C)C
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| InChI |
1S/C19H26O3/c1-11-15-10-12(20)6-9-19(3,22-15)14-7-8-18(2)13(17(11)14)4-5-16(18)21/h10-11,13-14,17H,4-9H2,1-3H3/t11-,13-,14-,17-,18-,19?/m0/s1
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| InChIKey |
PCQJXIDDNRAKDR-HXWRFABVSA-N
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| 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. | |||
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