CHEMBL3950254


SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C(N)=O)nc1
InChIKey PQHIRTDXFUZNBI-DVECYGJZSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 516.2

Drug properties

Molecular type Small molecule
Endogenous/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 6.72 6.72 6.72 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.65 6.65 6.65 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.28 9.38 9.47 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.26 6.29 6.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database