CHEMBL4443054


SMILES Cc1cccc(NC(=O)CN2CCN(c3ncccn3)CC2)c1
InChIKey FAUOIWKXVZMERY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 311.2

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 6.5 7.38 8.25 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.22 5.22 5.22 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.19 5.41 5.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pEC50 6.56 7.52 8.47 ChEMBL
D4 DRD4 Human Dopamine A pIC50 6.33 6.52 6.71 ChEMBL
D3 DRD3 Human Dopamine A pEC50 5.25 5.25 5.25 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.08 5.38 5.68 ChEMBL
D2 DRD2 Human Dopamine A pIC50 4.6 4.6 4.6 ChEMBL