Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0DO1T
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| Former ID |
DNC004511
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| Drug Name |
MR-20492
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| Synonyms |
MR-20492; CHEMBL9165; SCHEMBL6064449; BDBM50070097; 6-(4-Chloro-phenyl)-7-[1-pyridin-4-yl-meth-(Z)-ylidene]-6,7-dihydro-5H-indolizin-8-one; 6-(4-Chlorophenyl)-7-(4-pyridylmethylene)-5,6-dihydroindolizine-8(7H)-one
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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 |
C20H15ClN2O
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| Canonical SMILES |
C1C(C(=CC2=CC=NC=C2)C(=O)C3=CC=CN31)C4=CC=C(C=C4)Cl
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| InChI |
1S/C20H15ClN2O/c21-16-5-3-15(4-6-16)18-13-23-11-1-2-19(23)20(24)17(18)12-14-7-9-22-10-8-14/h1-12,18H,13H2/b17-12-
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| InChIKey |
OMGJLQMHGRFTAP-ATVHPVEESA-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 | Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64. | |||
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