CHEBI:167673 - TAK-632

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ChEBI Name TAK-632
ChEBI ID CHEBI:167673
Definition A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by (cyclopropanecarbonyl)amino, 4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy, and cyano groups at positions 2, 6 and 7, respectively. It is a potent pan-RAF inhibitor with IC50 of 1.4, 2.4 and 8.3 nM for CRAF, BRAFV600E, BRAFWT, respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter R. Stephan
Supplier Information
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Formula C27H18F4N4O3S
Net Charge 0
Average Mass 554.520
Monoisotopic Mass 554.10357
InChI InChI=1S/C27H18F4N4O3S/c28-19-7-6-17(12-21(19)33-23(36)11-14-2-1-3-16(10-14)27(29,30)31)38-22-9-8-20-24(18(22)13-32)39-26(34-20)35-25(37)15-4-5-15/h1-3,6-10,12,15H,4-5,11H2,(H,33,36)(H,34,35,37)
InChIKey OJFKUJDRGJSAQB-UHFFFAOYSA-N
SMILES FC1=C(NC(=O)CC2=CC(=CC=C2)C(F)(F)F)C=C(OC2=C(C#N)C3=C(C=C2)N=C(NC(=O)C2CC2)S3)C=C1
Roles Classification
Biological Role(s): necroptosis inhibitor
Any substance that inhibits the process of necroptosis (programmed form of necrosis) in organisms.
B-Raf inhibitor
A serine/threonine kinase inhibitor that specifically inhibits human mutant serine/threonine kinase (B-Raf)
EC 2.7.11.26 (tau-protein kinase) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of tau-protein kinase inhibitor (EC 2.7.11.26).
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing TAK-632 (CHEBI:167673) has role antineoplastic agent (CHEBI:35610)
TAK-632 (CHEBI:167673) has role apoptosis inducer (CHEBI:68495)
TAK-632 (CHEBI:167673) has role B-Raf inhibitor (CHEBI:75047)
TAK-632 (CHEBI:167673) has role EC 2.7.11.26 (tau-protein kinase) inhibitor (CHEBI:91092)
TAK-632 (CHEBI:167673) has role necroptosis inhibitor (CHEBI:167704)
TAK-632 (CHEBI:167673) is a (trifluoromethyl)benzenes (CHEBI:83565)
TAK-632 (CHEBI:167673) is a aromatic ether (CHEBI:35618)
TAK-632 (CHEBI:167673) is a benzothiazoles (CHEBI:37947)
TAK-632 (CHEBI:167673) is a cyclopropylcarboxamide (CHEBI:51456)
TAK-632 (CHEBI:167673) is a monofluorobenzenes (CHEBI:83575)
TAK-632 (CHEBI:167673) is a nitrile (CHEBI:18379)
TAK-632 (CHEBI:167673) is a secondary carboxamide (CHEBI:140325)
IUPAC Name
N-[7-cyano-6-(4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
Synonyms Sources
N-(7-cyano-6-(4-fluoro-3-(2-(3-(trifluoromethyl)phenyl)acetamido)phenoxy)benzo[d]thiazol-2-yl)cyclopropanecarboxamide ChEBI
N-[5-[[7-cyano-2-[(cyclopropylcarbonyl)amino]-6-benzothiazolyl]oxy]-2-fluorophenyl]-3-(trifluoromethyl)-benzeneacetamide ChEBI
TAK 632 ChEBI
TAK632 ChEBI
Manual Xref Database
1SU PDBeChem
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Registry Number Type Source
1228591-30-7 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
23906342 PubMed citation SUBMITTER
24121489 PubMed citation SUBMITTER
26862741 PubMed citation Europe PMC
27155899 PubMed citation Europe PMC
29727562 PubMed citation Europe PMC
30825190 PubMed citation Europe PMC
31095385 PubMed citation Europe PMC
31734178 PubMed citation Europe PMC
Last Modified
18 March 2021