CHEMBL3894853


SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccn(C)c(=O)c1
InChIKey JVGDBVAGMMZAGB-YKSBVNFPSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 503.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.45 6.45 6.45 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.52 6.52 6.52 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.65 5.69 5.73 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.23 8.31 8.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database