CHEMBL3964512


SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1C1=CCC(=O)N=C1
InChIKey XJTVRXYTOLNCDQ-XXBNENTESA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 489.2

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 6.2 6.2 6.2 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.31 6.31 6.31 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.28 8.47 8.66 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.12 6.29 6.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database