IBD Research Resource Center

BioID	bio3106
Name	DARUSENTAN
ChEMBL ID	CHEMBL23261
Molecular Formula	C22H22N2O6
Molecular Weight	410.43
Molecular Weight (Monoisotopic)	410.1478
Type	Small molecule
Max Phase	Phase 3
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	DARUSENTAN\|Darusentan\|HMR-4005\|LU-135252
Smiles	COc1cc(OC)nc(O[C@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1
Inchi	InChI=1S/C22H22N2O6/c1-27-17-14-18(28-2)24-21(23-17)30-19(20(25)26)22(29-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1
Inchi Key	FEJVSJIALLTFRP-LJQANCHMSA-N
Molecular Species	ACID
Targets	10.0
Bioactivities	23.0
Np Likeness Score	-0.15
Records Key	['darusentan', 'DARUSENTAN', 'LU-135252', '1, (LU-135252)', 'DARUSENTAN', 'darusentan', 'SID170466416', '82', 'DARUSENTAN', 'DARUSENTAN', 'darusentan', 'DARUSENTAN', 'darusentan']
Records Name	['(S)-2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-3,3-diphenyl-propionic acid', 'DARUSENTAN', '(S)-2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-3,3-diphenyl-propionic acid', '(S)-2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-3,3-diphenyl-propionic acid', 'DARUSENTAN', 'darusentan', 'SID170466416', 'Darusentan', 'DARUSENTAN', 'DARUSENTAN', 'darusentan', 'DARUSENTAN', 'darusentan']
Withdrawn Flag	False
Orphan	0