Drug General Information
Drug ID
D0Q4JM
Former ID
DNCL002183
Drug Name
TAK-441
Drug Type
Small molecular drug
Indication Solid tumours [ICD9: 140-199, 210-229; ICD10:C00-D48] Phase 1 [523175], [542994]
Company
Millennium Pharmaceuticals
Structure
Download
2D MOL
Formula
C28H31F3N4O6
InChI
InChI=1S/C28H31F3N4O6/c1-3-19-13-20-23(27(40)35(19)14-21(37)17-7-5-4-6-8-17)25(41-16-28(29,30)31)24(33(20)2)26(39)32-18-9-11-34(12-10-18)22(38)15-36/h4-8,13,18,36H,3,9-12,14-16H2,1-2H3,(H,32,39)
InChIKey
ZADWXQMNNVICKB-UHFFFAOYSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) smoothened receptor Target Info Modulator [532297]
KEGG Pathway Hedgehog signaling pathway
Pathways in cancer
Proteoglycans in cancer
Basal cell carcinoma
PANTHER Pathway Hedgehog signaling pathway
Pathway Interaction Database Signaling events mediated by the Hedgehog family
Hedgehog signaling events mediated by Gli proteins
Reactome Class B/2 (Secretin family receptors)
Hedgehog 'off' state
Activation of SMO
WikiPathways Hedgehog Signaling Pathway
Hair Follicle Development: Organogenesis (Part 2 of 3)
Hair Follicle Development: Induction (Part 1 of 3)
Integrated Pancreatic Cancer Pathway
GPCR ligand binding
GPCRs, Other
References
Ref 523175ClinicalTrials.gov (NCT01204073) A Study of TAK-441 in Adult Patients With Advanced Nonhematologic Malignancies. U.S. National Institutes of Health.
Ref 542994(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: 8200).
Ref 532297TAK-441, a novel investigational smoothened antagonist, delays castration-resistant progression in prostate cancer by disrupting paracrine hedgehog signaling. Int J Cancer. 2013 Oct 15;133(8):1955-66.

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