Drug Information

Drug General Information
Drug ID
D00VPV
Former ID
DNC006081
Drug Name
TAK-013
Drug Type
Small molecular drug
Indication Uterine leiomyoma [ICD9: 218.9; ICD10:D25] Discontinued in Phase 2 [538696], [547550]
Structure
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2D MOL

3D MOL
Formula
C36H31F2N5O4S
InChI
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)
InChIKey
UCQSBGOFELXYIN-UHFFFAOYSA-N
PubChem Compound ID
3038517
PubChem Substance ID
10049045, 12015459, 14937192, 36106230, 51425063, 57353739, 85210227, 103188390, 104015294, 111646274, 134343286, 135141839, 135651226, 142495100, 180371913, 198985490, 202535673, 224033193, 226564302, 241070002, 247031737
Target and Pathway
Target(s) Gonadotropin-releasing hormone receptor Target Info Inhibitor [529431]
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
Ref 538696(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 547550Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800017215)
Ref 529431J Med Chem. 2008 Jun 26;51(12):3331-48.Non-peptide gonadotropin-releasing hormone receptor antagonists.

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