CHEMBL221866


SMILES COc1ccc(Cn2nnc(C(=O)NCCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)c2C)cc1
InChIKey MWLMSEXRHBMQDW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 11
Molecular weight (Da) 544.2

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 6.54 6.54 6.54 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.04 8.43 8.82 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.49 8.49 8.49 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.47 7.47 7.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database