IBD Research Resource Center

BioID	bio3086
Name	IRDABISANT
ChEMBL ID	CHEMBL1829335
Molecular Formula	C18H23N3O2
Molecular Weight	313.4
Molecular Weight (Monoisotopic)	313.179
Type	Small molecule
Max Phase	Phase 2
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	CEP 26401\|CEP-26401\|CEP26401\|IRDABISANT\|Irdabisant
Smiles	C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1
Inchi	InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1
Inchi Key	XUKROCVZGZNGSI-CQSZACIVSA-N
Molecular Species	BASE
Targets	22.0
Bioactivities	58.0
Np Likeness Score	-1.58
Records Key	['IRDABISANT', '8a, CEP-26401, irdabisant', '1, CEP-26401', '1, CEP-26401, Irdabisant', '1, CEP-26401, irdabisant', 'IRDABISANT', '1a, CEP-26401', '1, CEP-26401', '6, CEP-26401']
Records Name	['IRDABISANT', '6-{4-[3-(R)-2-Methylpyrrolidin-1-yl)propoxy]phenyl}-2H-pyridazin-3-one', 'Irdabisant', '(R)-6-(4-(3-(2-methylpyrrolidin-1-yl)propoxy)phenyl)pyridazin-3(2H)-one', '6-{4-[3-(R)-(2-methylpyrrolidin-1-yl)propoxy]phenyl}-2H-pyridazin-3-one', 'IRDABISANT', '(R)-6-(4-(3-(2-methylpyrrolidin-1-yl)propoxy)phenyl)pyridazin-3(2H)-one', 'Irdabisant', 'irdabisant']
Withdrawn Flag	False
Orphan	0