LimKi 3 (CHEBI:138670)

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ChEBI Name	LimKi 3

ChEBI ID	CHEBI:138670

Definition	A member of the class of pyrazoles that is 1-(2,6-dichlorophenyl)-1H-pyrazole which is substituted by a difluoromethyl group at position 3 and by a 2-(isobutyrylamino)-1,3-thiazol-5-yl group at position 5. It is a a potent cell-permeable inhibitor of LIM kinase 1 and 2.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	TheOtherDave

Supplier Information

Download	Molfile XML SDF

Formula

C17H14Cl2F2N4OS

Net Charge

Average Mass

431.289

Monoisotopic Mass

430.02334

InChI

InChI=1S/C17H14Cl2F2N4OS/c1-8(2)16(26)23-17-22-7-13(27-17)12-6-11(15(20)21)24-25(12)14-9(18)4-3-5-10(14)19/h3-8,15H,1-2H3,(H,22,23,26)

InChIKey

IVUGBSGLHRJSSP-UHFFFAOYSA-N

SMILES

CC(C)C(=O)NC=1SC(=CN1)C2=CC(=NN2C=3C(=CC=CC3Cl)Cl)C(F)F

Roles Classification
Biological Role(s):	LIM kinase inhibitor An that interferes with the activity of any of the actin-binding kinases that phosphorylate members of the ADF/cofilin family of actin binding and filament severing proteins.

ChEBI Ontology
Outgoing	LimKi 3 (CHEBI:138670) has role LIM kinase inhibitor (CHEBI:139074) LimKi 3 (CHEBI:138670) is a 1,3-thiazoles (CHEBI:38418) LimKi 3 (CHEBI:138670) is a dichlorobenzene (CHEBI:23697) LimKi 3 (CHEBI:138670) is a organofluorine compound (CHEBI:37143) LimKi 3 (CHEBI:138670) is a pyrazoles (CHEBI:26410) LimKi 3 (CHEBI:138670) is a secondary carboxamide (CHEBI:140325)

IUPAC Name

N-{5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)-1H-pyrazol-5-yl]-1,3-thiazol-2-yl}-2-methylpropanamide

Synonyms	Sources
BMS3	ChEBI
LIM Kinase Inhibitor I	SUBMITTER
N-(5-(1-(2,6-dichlorophenyl)-3-(difluoromethyl)-1H-pyrazol-5-yl)thiazol-2-yl)isobutyramide	SUBMITTER

Last Modified

07 March 2018