Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0V1UY
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| Former ID |
DNC003921
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| Drug Name |
CGS-18320B
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| Synonyms |
Cgs-18320B; CHEMBL29482; AC1L33QO; SCHEMBL1507825; ZINC3775824; CGS-18320; BDBM50047260; 4,4''-((1H-imidazol-1-yl)methylene)dibenzonitrile; 4-[4-cyanophenyl(1H-1-imidazolyl)methyl]benzonitrile; 4-[(4-cyanophenyl)-imidazol-1-ylmethyl]benzonitrile
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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 |
C18H12N4
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| Canonical SMILES |
C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=CN=C3
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| InChI |
1S/C18H12N4/c19-11-14-1-5-16(6-2-14)18(22-10-9-21-13-22)17-7-3-15(12-20)4-8-17/h1-10,13,18H
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| InChIKey |
NRXVWQIGPASRKU-UHFFFAOYSA-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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