CHEMBL484202


SMILES C#CC1=CCC(N(CCC)CCCCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)CC1
InChIKey GOPCNWYYZCPBLJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 10
Molecular weight (Da) 438.3

Drug properties

Molecular type Small molecule
Endogenous/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 5.02 5.02 5.02 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.82 7.7 8.89 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.21 6.49 6.77 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.21 6.49 6.77 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 8.6 8.75 8.89 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 6.72 6.72 6.72 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 6.72 6.72 6.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 8.51 8.55 8.59 ChEMBL