Drug (ID: DG01568) and It's Reported Resistant Information
Name
TAK-441
Synonyms
TAK-441; 1186231-83-3; UNII-CY3QT94KWP; CY3QT94KWP; CHEMBL2205230; 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; TAK 441; GTPL8200; SCHEMBL1061476; BCP20946; BDBM50401323; NSC771858; ZINC43207688; NSC-771858; SB18887; LM2094; TAK441; TAK 441; Q27088929; 6-ethyl-N-(1-(2-hydroxyacetyl)piperidin-4-yl)-1-methyl-4-oxo-5-(2-oxo-2-phenylethyl)-3-(2,2,2-trifluoroethoxy)-4,5-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
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Indication
In total 1 Indication(s)
Colorectal cancer [ICD-11: 2B91]
Phase 1
[1]
Structure
Target MAPK/ERK kinase kinase (MAP3K) NOUNIPROTAC [1]
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Formula
9
IsoSMILES
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
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 CID
44187367
TTD Drug ID
D03CHM
Type(s) of Resistant Mechanism of This Drug
  UAPP: Unusual Activation of Pro-survival Pathway
Drug Resistance Data Categorized by Their Corresponding Diseases
ICD-02: Benign/in-situ/malignant neoplasm
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Solid tumour/cancer [ICD-11: 2A00-2F9Z]
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Drug Sensitivity Data Categorized by Their Corresponding Mechanisms
       Unusual Activation of Pro-survival Pathway (UAPP) Click to Show/Hide
Key Molecule: Smoothened homolog (SMO) [1]
Molecule Alteration Missense mutation
p.D473H (c.1417G>C)
Sensitive Disease Solid tumour/cancer [ICD-11: 2A00-2F9Z]
Experimental Note Identified from the Human Clinical Data
In Vitro Model HEK293T cells Kidney Homo sapiens (Human) CVCL_0063
NIH3T3 cells Embryo Homo sapiens (Human) N.A.
Experiment for
Molecule Alteration
Western blotting analysis
Experiment for
Drug Resistance
[3H]-TAK-441 radioligand membrane binding assay; Affinity selection-MS binding assay
References
Ref 1 Inhibition mechanism exploration of investigational drug TAK-441 as inhibitor against Vismodegib-resistant Smoothened mutantEur J Pharmacol. 2014 Jan 15;723:305-13. doi: 10.1016/j.ejphar.2013.11.014. Epub 2013 Nov 28.

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