IBD Research Resource Center

BioID	bio2332
Name	ZATOSETRON
ChEMBL ID	CHEMBL2111147
Molecular Formula	C19H25ClN2O2
Molecular Weight	348.87
Molecular Weight (Monoisotopic)	348.1605
Type	Small molecule
Max Phase	Unknown
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	LY-277359\|LY277359\|ZATOSETRON
Smiles	CN1[C@@H]2CC[C@H]1C[C@@H](NC(=O)c1cc(Cl)cc3c1OC(C)(C)C3)C2
Inchi	InChI=1S/C19H25ClN2O2/c1-19(2)10-11-6-12(20)7-16(17(11)24-19)18(23)21-13-8-14-4-5-15(9-13)22(14)3/h6-7,13-15H,4-5,8-10H2,1-3H3,(H,21,23)/t13-,14+,15-
Inchi Key	SPKBYQZELVEOLL-QDMKHBRRSA-N
Molecular Species	BASE
Targets	5.0
Bioactivities	22.0
Np Likeness Score	-0.38
Records Key	['16', 'Zatosetron', '50', 'zatosetron', 'Zatosetron', 'LY-277359']
Records Name	['5-Chloro-2,2-dimethyl-2,3-dihydro-benzofuran-7-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide', '5-Chloro-2,2-dimethyl-2,3-dihydro-benzofuran-7-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide', '5-Chloro-2,2-dimethyl-2,3-dihydro-benzofuran-7-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide', 3alpha-(2',3'-benzofuran-5',5'-dimethyl-8'chloro-6'carbonylamido)tropane", '5-Chloro-2,2-dimethyl-2,3-dihydro-benzofuran-7-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide', '5-Chloro-2,2-dimethyl-2,3-dihydro-benzofuran-7-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide']"
Withdrawn Flag	False
Orphan	0