IBD Research Resource Center

BioID	bio2129
Name	CINCHONINE
ChEMBL ID	CHEMBL588619
Molecular Formula	C19H22N2O
Molecular Weight	294.4
Molecular Weight (Monoisotopic)	294.1732
Type	Small molecule
Max Phase	Unknown
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	(8R,9S)-CINCHONINE\|(9S)-CINCHONAN-9-OL\|CINCHONAN-9-OL, (9S)-\|D-CINCHONINE\|GNF-Pf-3189\|NSC-6176\|TCMDC-123933
Smiles	C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc12
Inchi	InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18+,19-/m0/s1
Inchi Key	KMPWYEUPVWOPIM-QAMTZSDWSA-N
Molecular Species	BASE
Targets	83.0
Bioactivities	119.0
Np Likeness Score	0.88
Records Key	['CN', 'cinchonine', 'cinchonine', 'cinchonine', 'OSL-2', '1c', 'TCMDC-123933', 'I', '15 Cinchonine', 'SID56463110', 'GNF-Pf-3189', '(+)-Cinchonine', 'SID72169', 'CIN', 'TCMDC-123933', 'Cinchonine', 'CINCHONINE', 'CINCHONINE', 'CINCHONINE', 'CINCHONINE', 'CN', 'CINCHONINE']
Records Name	['Cinchonine', 'cinchonine', 'cinchonine', '(S)-Quinolin-4-yl-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol', '(1S,2R,4S,5R)-2-((S)-Hydroxy-quinolin-4-yl-methyl)-5-vinyl-1-azonia-bicyclo[2.2.2]octane', 'Cinchonine', 'TCMDC-123933', 'cinchonine', '2-((S)-Hydroxy-quinolin-4-yl-methyl)-5-vinyl-1-azonia-bicyclo[2.2.2]octane', 'SID56463110', 'GNF-Pf-3189', '(+)-Cinchonine', 'SID72169', 'Cinchonine', None, 'Cinchonine', 'CINCHONINE', 'CINCHONINE', 'CINCHONINE', 'CINCHONINE', 'Cinchonine', 'CINCHONINE']
Withdrawn Flag	False
Orphan	0