IBD Research Resource Center

BioID	bio200053
Name	REPARIXIN
ChEMBL ID	CHEMBL191413
Molecular Formula	C14H21NO3S
Molecular Weight	283.39
Molecular Weight (Monoisotopic)	283.1242
Type	Small molecule
Max Phase	Phase 3
Target ID	Tar81
Target Name	None
Synonyms	DF 1681Y\|DF-1681Y\|DF1681Y\|REPARIXIN\|REPARIXINA\|REPARIXINE\|REPERTAXIN\|Reparixin
Smiles	CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1
Inchi	InChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)/t11-/m1/s1
Inchi Key	KQDRVXQXKZXMHP-LLVKDONJSA-N
Molecular Species	ACID
Targets	38.0
Bioactivities	125.0
Np Likeness Score	-0.58
Records Key	['15', '2343', '2', '32', 'REPARIXIN', 'Reparixin', 'REPARIXIN', '13', 'SID144205825', 'raparixin', 'Reparixin', 'REPARIXIN', 'Reparixin脢', 'reparixin', 'reparixin', 'Reparixin脗', '1', 'EUB0000867a', 'EUB0000867a', 'Reparixin', 'EUB0000867a', 'Repertaxin']
Records Name	['Repertaxin', None, 'N-[(R)-2-(4-Isobutyl-phenyl)-propionyl]-methanesulfonamide', 'Repertaxin', 'REPARIXIN', 'Reparixin', 'REPARIXIN', 'N-[(R)-2-(4-Isobutyl-phenyl)-propionyl]-methanesulfonamide', 'SID144205825', '(R)-2-(4-isobutylphenyl)-N-(methylsulfonyl)propanamide', 'Reparixin', 'REPARIXIN', 'Reparixin脢', 'reparixin', 'reparixin', 'Reparixin脗', 'Reparixin', 'REPARIXIN', 'REPARIXIN', 'Reparixin', 'REPARIXIN', 'Repertaxin']
Withdrawn Flag	False
Orphan	0