aripiprazole


SMILES O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl
InChIKey CEUORZQYGODEFX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 447.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 7E2Z 7VOE
Ligand site mutations D2 D3 D4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
FFA2 FFAR2 Human Free fatty acid A pEC50 2.6 2.6 2.6 Guide to Pharmacology
FFA3 FFAR3 Human Free fatty acid A pEC50 3.9 3.9 3.9 Guide to Pharmacology
FFA3 FFAR3 Human Free fatty acid A pEC50 4.65 4.65 4.65 ChEMBL