CHEMBL3774411


SMILES Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1cc[nH]c(=O)c1
InChIKey CRAJXQNFXAOYDL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 504.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.96 5.96 5.96 ChEMBL
D4 DRD4 Human Dopamine A pKi 4.8 4.8 4.8 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.76 5.76 5.76 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.7 6.03 6.2 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.8 8.0 8.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database