CHEMBL4091064


SMILES N#Cc1cnn2ccc(NC(=O)CCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12
InChIKey MBMINXDPXIMQPF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 456.1

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
D1 DRD1 Human Dopamine A pKi 6.6 6.6 6.6 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.25 8.25 8.25 ChEMBL
D2 DRD2 Human Dopamine A pKi 9.04 9.16 9.28 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.64 8.64 8.64 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.5 7.5 7.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 6.06 6.06 6.06 ChEMBL
D3 DRD3 Human Dopamine A pEC50 7.21 7.21 7.21 ChEMBL