Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D00VPV
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| Former ID |
DNC006081
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| Drug Name |
TAK-013
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| Synonyms |
Sufugolix; TAK-013; 308831-61-0; UNII-56S17Z6X9M; CHEMBL22055; 56S17Z6X9M; TAK 013; Sufugolix [INN:BAN]; Sufugolix(TAK-013); SCHEMBL209021; GTPL1185; AC1MI503; DTXSID40184893; UCQSBGOFELXYIN-UHFFFAOYSA-N; MolPort-046-033-569; ZINC3842924; BDBM50122654; AKOS030629545; CS-6434; AS-35342; HY-100209; L001648; N-(4-(5-((benzyl(methyl)amino)methyl)-1-(2,6-difluorobenzyl)-1,2,3,4-tetrahydro-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl)phenyl)-N'-methoxyurea
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| Drug Type |
Small molecular drug
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| Indication | Uterine fibroids [ICD-11: 2E86.0; ICD-9: 218.9] | Discontinued in Phase 2 | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C36H31F2N5O4S
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| Canonical SMILES |
CN(CC1=CC=CC=C1)CC2=C(SC3=C2C(=O)N(C(=O)N3CC4=C(C=CC=C4F)F)C5=CC=CC=C5)C6=CC=C(C=C6)NC(=O)NOC
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| InChI |
1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)
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| InChIKey |
UCQSBGOFELXYIN-UHFFFAOYSA-N
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| CAS Number |
CAS 308831-61-0
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Gonadotropin-releasing hormone receptor (GNRHR) | Target Info | Inhibitor | [3] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| GnRH signaling pathway | ||||
| NetPath Pathway | IL1 Signaling Pathway | |||
| IL2 Signaling Pathway | ||||
| Panther Pathway | Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | |||
| Reactome | Hormone ligand-binding receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | Gastrin-CREB signalling pathway via PKC and MAPK | |||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1185). | |||
| REF 2 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800017215) | |||
| REF 3 | Non-peptide gonadotropin-releasing hormone receptor antagonists. J Med Chem. 2008 Jun 26;51(12):3331-48. | |||
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