IBD Research Resource Center

BioID	bio2399
Name	CINALUKAST
ChEMBL ID	CHEMBL283754
Molecular Formula	C23H28N2O3S
Molecular Weight	412.56
Molecular Weight (Monoisotopic)	412.1821
Type	Small molecule
Max Phase	Phase 2
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	CINALUKAST\|Cinalukast\|RO 24-5913\|RO-24-5913\|RO-245913
Smiles	CCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1)C(=O)O
Inchi	InChI=1S/C23H28N2O3S/c1-3-23(4-2,22(27)28)14-20(26)24-18-10-5-7-16(13-18)11-12-21-25-19(15-29-21)17-8-6-9-17/h5,7,10-13,15,17H,3-4,6,8-9,14H2,1-2H3,(H,24,26)(H,27,28)/b12-11+
Inchi Key	BZMKNPGKXJAIDV-VAWYXSNFSA-N
Molecular Species	ACID
Targets	67.0
Bioactivities	100.0
Np Likeness Score	-1.0
Records Key	['6', 'SID26753192', '15 (Ro-245913)', 'SID144204742', 'Cinalukast脢', 'cinalukast', 'SID170466361', 'CINALUKAST', 'cinalukast', 'Cinalukast脗', 'cinalukast', 'CINALUKAST', 'cinalukast']
Records Name	['N-{3-[(E)-2-(4-Cyclobutyl-thiazol-2-yl)-vinyl]-phenyl}-2,2-diethyl-succinamic acid', 'SID26753192', 'N-{3-[2-(4-Cyclobutyl-thiazol-2-yl)-vinyl]-phenyl}-2,2-diethyl-succinamic acid', 'SID144204742', 'Cinalukast脢', 'cinalukast', 'SID170466361', 'CINALUKAST', 'cinalukast', 'Cinalukast脗', 'cinalukast', 'CINALUKAST', 'cinalukast']
Withdrawn Flag	False
Orphan	0