IBD Research Resource Center

BioID	bio3279
Name	SPIRADOLINE
ChEMBL ID	CHEMBL118865
Molecular Formula	C22H30Cl2N2O2
Molecular Weight	425.4
Molecular Weight (Monoisotopic)	424.1684
Type	Small molecule
Max Phase	Phase 2
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	ESPIRADOLINA\|SPIRADOLINE
Smiles	CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCC2(CCCO2)CC1N1CCCC1
Inchi	InChI=1S/C22H30Cl2N2O2/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3
Inchi Key	NYKCGQQJNVPOLU-UHFFFAOYSA-N
Molecular Species	BASE
Targets	114.0
Bioactivities	296.0
Np Likeness Score	-0.12
Records Key	['4c', 'Spiradoline', 'U-62066', '19', 'SPIRADOLINE', 'spiradoline', 'SID144206611', 'SID170466255', 'SPIRADOLINE', 'U-62066 mesylate', 'U-62,006']
Records Name	['2-(3,4-Dichloro-phenyl)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxa-spiro[4.5]dec-8-yl)-acetamide', '2-(3,4-Dichloro-phenyl)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxa-spiro[4.5]dec-8-yl)-acetamide', '(U-62066, Spiradoline) 2-(3,4-Dichloro-phenyl)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxa-spiro[4.5]dec-8-yl)-acetamide', '2-(3,4-Dichloro-phenyl)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxa-spiro[4.5]dec-8-yl)-acetamide; mesylate', 'Spiradoline', '2-(3,4-Dichloro-phenyl)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxa-spiro[4.5]dec-8-yl)-acetamide', 'SID144206611', 'SID170466255', 'SPIRADOLINE', 'U-62066 mesylate', 'Spiradoline']
Withdrawn Flag	False
Orphan	0