CP-226269


SMILES Fc1ccc2c(c1)cc([nH]2)CN1CCN(CC1)c1ccccn1
InChIKey PQOIDBZLMJMYCD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 310.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations D4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Rat Dopamine A pKi 9.4 9.4 9.4 Guide to Pharmacology
D4 DRD4 Human Dopamine A pKi 8.44 8.44 8.44 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.25 6.25 6.25 ChEMBL
κ OPRK Human Opioid A pKi 6.52 6.52 6.52 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.92 6.92 6.92 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.7 6.7 6.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Rat Dopamine A pEC50 7.44 7.55 7.66 ChEMBL
D4 DRD4 Human Dopamine A pEC50 7.5 7.5 7.5 ChEMBL
D2 DRD2 Rat Dopamine A pEC50 6.28 6.77 7.26 ChEMBL