IBD Research Resource Center

BioID	bio1658
Name	C-188-9
ChEMBL ID	CHEMBL3392776
Molecular Formula	C27H21NO5S
Molecular Weight	471.53
Molecular Weight (Monoisotopic)	471.114
Type	Small molecule
Max Phase	Phase 2
Target ID	Tar11
Target Name	Proto-oncogene c-RAF (c-RAF)
Synonyms	C-188-9\|STAT3 INHIBITOR C188-9\|STAT3 INHIBITOR TTI-101\|TTI 101\|TTI-101\|TTI101
Smiles	COc1ccc(S(=O)(=O)Nc2cc(-c3c(O)ccc4ccccc34)c(O)c3ccccc23)cc1
Inchi	InChI=1S/C27H21NO5S/c1-33-18-11-13-19(14-12-18)34(31,32)28-24-16-23(27(30)22-9-5-4-8-21(22)24)26-20-7-3-2-6-17(20)10-15-25(26)29/h2-16,28-30H,1H3
Inchi Key	QDCJDYWGYVPBDO-UHFFFAOYSA-N
Molecular Species	NEUTRAL
Targets	10.0
Bioactivities	15.0
Np Likeness Score	-0.32
Records Key	['SID174006692', 'C-188-9', 'C188-9', '1f; C188-9', '19; TTI-101', 'TTI-101; C188-9, 1', '54; C188-9']
Records Name	['SID174006692', 'C-188-9', N-(1',2-dihydroxy-1,2'-binaphthyl-4'-yl)-4-methoxybenzenesulfonamide", "N-{1',2-dihydroxy-[1,2'-binaphthalen]-4'-yl}-4-methoxybenzene-1-sulfonamide", "N-(1',2-dihydroxy-[1,2'-binaphthalen]-4'-yl)-4-methoxybenzenesulfonamide", "N-(1',2-dihydroxy-[1,2'-binaphthalen]-4'-yl)-4-methoxybenzenesulfonamide", "N-(1',2-dihydroxy-[1,2'-binaphthalen]-4'-yl)-4-methoxybenzenesulfonamide"]"
Withdrawn Flag	False
Orphan	0