CHEMBL484358


SMILES C#CC1=CCC(N(CCC)CCCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIKey PWZPBZQTTHOCIS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 414.3

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
D1 DRD1 Pig Dopamine A pKi 5.54 5.54 5.54 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.37 8.37 8.37 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.06 8.45 9.7 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.37 7.38 7.4 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.37 7.38 7.4 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 9.11 9.39 9.68 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 8.37 8.37 8.37 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 8.68 8.74 8.8 ChEMBL