Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0R2YN
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| Former ID |
DNC009932
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| Drug Name |
NSC-122427
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| Synonyms |
NSC-122427; CHEMBL583989; 4-(4-(5-oxothiophen-2(5H)-ylidene)hexan-3-yl)phenyl acetate; NSC122427; AC1O0LAU; BDBM50298487; [4-[(4Z)-4-(5-oxothiophen-2-ylidene)hexan-3-yl]phenyl] acetate
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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 |
C18H20O3S
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| Canonical SMILES |
CCC(C1=CC=C(C=C1)OC(=O)C)C(=C2C=CC(=O)S2)CC
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| InChI |
1S/C18H20O3S/c1-4-15(16(5-2)17-10-11-18(20)22-17)13-6-8-14(9-7-13)21-12(3)19/h6-11,15H,4-5H2,1-3H3/b17-16-
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| InChIKey |
CYZIBHGLFHMMJY-MSUUIHNZSA-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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