Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0Q4JM
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| Former ID |
DNCL002183
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| Drug Name |
TAK-441
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| Synonyms |
TAK-441; 1186231-83-3; CHEMBL2205230; TAK 441; SCHEMBL1061476; GTPL8200; BCP20946; ZINC43207688; BDBM50401323; LM2094; SB18887; KB-80790; Z-3185; 6-ethyl-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-1-methyl-4-oxo-5-phenacyl-3-(2,2,2-trifluoroethoxy)pyrrolo[3,2-c]pyridine-2-carboxamide
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| Drug Type |
Small molecular drug
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| Indication | Solid tumour/cancer [ICD-11: 2A00-2F9Z; ICD-10: C00-D48; ICD-9: 140-199, 210-229] | Phase 1 | [1], [2] | |
| Company |
Millennium Pharmaceuticals
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| Structure |
 |
Download2D MOL
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| Formula |
C28H31F3N4O6
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| Canonical SMILES |
CCC1=CC2=C(C(=C(N2C)C(=O)NC3CCN(CC3)C(=O)CO)OCC(F)(F)F)C(=O)N1CC(=O)C4=CC=CC=C4
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| 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)
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| InChIKey |
ZADWXQMNNVICKB-UHFFFAOYSA-N
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| CAS Number |
CAS 1186231-83-3
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Smoothened homolog (SMO) | Target Info | Modulator | [3] |
| 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 | 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: 8200). | |||
| REF 2 | ClinicalTrials.gov (NCT01204073) A Study of TAK-441 in Adult Patients With Advanced Nonhematologic Malignancies. U.S. National Institutes of Health. | |||
| REF 3 | TAK-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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