CHEMBL142020


SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
InChIKey MBSIGRZACGJWRM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 407.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations D3

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D5 DRD5 Human Dopamine A pKi 5.43 5.43 5.43 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.82 7.24 8.7 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.8 5.81 5.82 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.3 7.5 8.46 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.37 6.43 6.48 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.62 7.62 7.62 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.51 6.67 7.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 8.85 8.85 8.85 ChEMBL