IBD Research Resource Center

BioID	bio2949
Name	OPICAPONE
ChEMBL ID	CHEMBL1089318
Molecular Formula	C15H10Cl2N4O6
Molecular Weight	413.17
Molecular Weight (Monoisotopic)	411.9977
Type	Small molecule
Max Phase	Phase 4
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	BIA 9-1067\|BIA-9-1067\|BIA-91067\|ONGENTYS\|OPICAPONA\|OPICAPONE\|Ontilyv
Smiles	Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1
Inchi	InChI=1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22-23H,1-2H3
Inchi Key	ASOADIZOVZTJSR-UHFFFAOYSA-N
Molecular Species	ACID
Targets	8.0
Bioactivities	30.0
Np Likeness Score	-0.74
Records Key	['37d', 'opicapone', 'opicapone', 'Opicapone', 'OPICAPONE', 'OPICAPONE', '3, BIA 9-1067', 'OPICAPONE', 'OPICAPONE', 'Opicapone', 'OPICAPONE', 'Opicapone', 'OPICAPONE', 'Opicapone', 'OPICAPONE']
Records Name	['2,5-Dichloro-3-(5-(3,4-dihydroxy-5-nitrophenyl)-1,2,4-oxadiazol-3-yl)-4,6-dimethylpyridine 1-oxide', 'opicapone', 'opicapone', 'Opicapone', 'OPICAPONE', 'OPICAPONE', 'Opicapone', 'OPICAPONE', 'OPICAPONE', 'Opicapone', 'OPICAPONE', 'Opicapone', 'OPICAPONE', 'Opicapone', 'OPICAPONE']
Withdrawn Flag	False
Orphan	0