Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0Y2OG
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| Former ID |
DNC004040
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| Drug Name |
YM-511
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| Synonyms |
YM 511; YM511 (pharmaceutical); 148869-05-0; YM-511; Benzonitrile,4-[[(4-bromophenyl)methyl]-4H-1,2,4-triazol-4-ylamino]-; 4-[[(4-BROMOPHENYL)METHYL]-4H-1,2,4-TRIAZOL-4-YLAMINO]BENZONITRILE; YM511; ACMC-20n5jr; SCHEMBL544997; CHEMBL108425; AC1L430I; CTK4C5946; BDBM10016; DTXSID50164121; GGPPBTSXFROGAE-UHFFFAOYSA-N; MolPort-023-276-728; ZINC598425; AKOS024457519; B5405; 4-[N-(4-bromobenzyl)-N-(4-cyanophenyl)amino]-4H-1,2,4-triazole; 4-[(4-bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile; Benzonitrile, 4-(((4-bromophenyl
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| Drug Type |
Small molecular drug
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| Indication | Breast cancer [ICD-11: 2C60-2C65] | Discontinued in Phase 2 | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C16H12BrN5
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| Canonical SMILES |
C1=CC(=CC=C1CN(C2=CC=C(C=C2)C#N)N3C=NN=C3)Br
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| InChI |
1S/C16H12BrN5/c17-15-5-1-14(2-6-15)10-22(21-11-19-20-12-21)16-7-3-13(9-18)4-8-16/h1-8,11-12H,10H2
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| InChIKey |
GGPPBTSXFROGAE-UHFFFAOYSA-N
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| CAS Number |
CAS 148869-05-0
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aromatase (CYP19A1) | Target Info | Inhibitor | [2] |
| 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 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002721) | |||
| REF 2 | First dual aromatase-steroid sulfatase inhibitors. J Med Chem. 2003 Jul 17;46(15):3193-6. | |||
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