CHEMBL3970323


SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cccc(C(N)=O)c1
InChIKey XUTJSHVGYIHURB-BWKNWUBXSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 515.2

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 6.42 6.42 6.42 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.23 5.23 5.23 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.58 6.58 6.58 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.25 9.29 9.33 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.2 6.33 6.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database