CHEMBL3905582


SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1csnn1
InChIKey KDMBMLINAPXLCW-UZLBHIALSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 480.1

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 6.56 6.56 6.56 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.77 6.77 6.77 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.5 8.67 8.84 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.21 6.55 6.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database