CHEMBL3963243


SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1C1CCN(C(N)=O)CC1
InChIKey VQODXNCHOGDXSX-YKSBVNFPSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 522.2

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 6.17 6.17 6.17 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 7.18 7.18 7.18 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.13 8.36 8.58 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.93 5.96 6.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database