IBD Research Resource Center

BioID	bio2940
Name	ACRIVASTINE
ChEMBL ID	CHEMBL1224
Molecular Formula	C22H24N2O2
Molecular Weight	348.45
Molecular Weight (Monoisotopic)	348.1838
Type	Small molecule
Max Phase	Phase 4
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	ACRIVASTINA\|ACRIVASTINE\|BENADRYL ALLGY RELIEF PLUS DECONGEST\|BW 825C\|BW-825C\|SEMPREX
Smiles	Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1
Inchi	InChI=1S/C22H24N2O2/c1-17-7-9-18(10-8-17)20(13-16-24-14-2-3-15-24)21-6-4-5-19(23-21)11-12-22(25)26/h4-13H,2-3,14-16H2,1H3,(H,25,26)/b12-11+,20-13+
Inchi Key	PWACSDKDOHSSQD-IUTFFREVSA-N
Molecular Species	ZWITTERION
Targets	73.0
Bioactivities	113.0
Np Likeness Score	-0.49
Records Key	['acrivastine', 'acrivastine', 'acrivastine', 'ACRIVASTINE', 'Acrivastine', 'ACRIVASTINE', 'Acrivastine', 'SID144206566', 'Acrivastine', 'ACRIVASTINE', 'Acrivastine', 'ACRIVASTINE', 'acrivastine', 'Acrivastine', 'Acrivastine', 'ACRIVASTINE', 'COVC-0141980912', 'Acrivastine', 'acrivastine']
Records Name	['(E)-3-[6-((E)-3-Pyrrolidin-1-yl-1-p-tolyl-propenyl)-pyridin-2-yl]-acrylic acid', '3-{6-[1-(4-methylphenyl)-3-tetrahydro-1H-1-pyrrolyl-(E)-1-propenyl]-2-pyridyl}-(E)-2-propenoic acid', '(E)-3-[6-((E)-3-Pyrrolidin-1-yl-1-p-tolyl-propenyl)-pyridin-2-yl]-acrylic acid', 'ACRIVASTINE', 'Acrivastine', 'ACRIVASTINE', 'Acrivastine', 'SID144206566', 'Acrivastine', 'ACRIVASTINE', 'Acrivastine', 'ACRIVASTINE', 'acrivastine', 'Acrivastine', 'Acrivastine', 'ACRIVASTINE', 'ACRIVASTINE', 'Acrivastine', 'acrivastine']
Withdrawn Flag	False
Orphan	0