Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0GL0L
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| Former ID |
DNC007308
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| Drug Name |
1-(9-phenyl-9H-fluoren-9-yl)-1H-1,2,4-triazole
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| Synonyms |
CHEMBL376371; 1H-1,2,4-Triazole, 1-(9-phenyl-9H-fluoren-9-yl)-; 828265-51-6; Fluorenyl deriv. 17; BDBM9468; 1-(9-phenyl-9H-fluoren-9-yl)-1H-1,2,4-triazole; CTK3D6011
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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 |
C21H15N3
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| Canonical SMILES |
C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)N5C=NC=N5
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| InChI |
1S/C21H15N3/c1-2-8-16(9-3-1)21(24-15-22-14-23-24)19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-15H
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| InChIKey |
KVOFEYRUEAXEJQ-UHFFFAOYSA-N
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| CAS Number |
CAS 828265-51-6
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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 | 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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