CHEMBL4598003


SMILES COc1ccc(F)cc1C1CC1CN(CCCSc1nnc(-c2ccccc2)n1C)C(C)C
InChIKey XYLLCILLEMTVLF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 11
Molecular weight (Da) 468.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pKi 6.49 6.49 6.49 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.3 6.3 6.3 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.98 6.98 6.98 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.29 6.29 6.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database