CHEMBL4454068


SMILES Cc1cccc(NC(=O)CCN2CCN(c3ccccn3)CC2)c1
InChIKey PCWHJLSDHHNXCV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 324.2

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 6.53 7.01 7.49 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.42 5.77 6.11 ChEMBL
D2 DRD2 Human Dopamine A pKi 4.92 5.81 6.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pEC50 6.21 6.21 6.21 ChEMBL
D4 DRD4 Human Dopamine A pIC50 5.79 5.88 5.96 ChEMBL
D3 DRD3 Human Dopamine A pEC50 5.8 5.8 5.8 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.84 6.32 6.81 ChEMBL
D2 DRD2 Human Dopamine A pIC50 5.15 5.15 5.15 ChEMBL