A412997


SMILES O=C(Nc1cccc(c1)C)CN1CCC(CC1)c1ccccn1
InChIKey JFCDMGGMCUKHST-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 309.2

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 8.1 8.1 8.1 Guide to Pharmacology
D2 DRD2 Human Dopamine A pKi 5.2 5.78 6.6 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.78 6.28 6.78 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.27 7.92 8.4 ChEMBL
D4 DRD4 Rat Dopamine A pKi 8.1 8.1 8.1 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pIC50 5.23 5.23 5.23 ChEMBL
D4 DRD4 Human Dopamine A pIC50 6.72 6.95 7.17 ChEMBL
D4 DRD4 Human Dopamine A pEC50 6.33 7.58 8.57 ChEMBL