Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0M5EW
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| Former ID |
DNC007302
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| Drug Name |
4-((1H-imidazol-1-yl)methyl)-2H-chromen-2-one
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| Synonyms |
CHEMBL427247; 2H-1-Benzopyran-2-one, 4-(1H-imidazol-1-ylmethyl)-; 828265-54-9; Coumarin deriv. 19; BDBM9470; CTK3D6009; DTXSID40460922; ZINC13586713
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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 |
C13H10N2O2
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| Canonical SMILES |
C1=CC=C2C(=C1)C(=CC(=O)O2)CN3C=CN=C3
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| InChI |
1S/C13H10N2O2/c16-13-7-10(8-15-6-5-14-9-15)11-3-1-2-4-12(11)17-13/h1-7,9H,8H2
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| InChIKey |
SOWQJCOJWDYZNR-UHFFFAOYSA-N
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| CAS Number |
CAS 828265-54-9
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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 | |||
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| REF 1 | Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors. J Med Chem. 2009 Jan 8;52(1):143-50. | |||
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