CHEMBL3613880


SMILES Clc1cccc(N2CCN(CCCCc3cn(-c4ccn5nccc5c4)nn3)CC2)c1Cl
InChIKey XEJNCXFNKSUHHY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 469.2

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 7.12 7.12 7.12 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.96 6.96 6.96 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.51 9.51 9.51 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.19 9.19 9.19 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.64 7.89 8.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 6.13 6.13 6.13 ChEMBL