CHEMBL4099711


SMILES COc1ccccc1N1CCN(CCCCOc2ccn3nc(CO)cc3c2)CC1
InChIKey BKIDSLXJSKMVCJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 410.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pKi 6.04 6.04 6.04 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.68 7.68 7.68 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.6 6.6 6.6 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.82 7.82 7.82 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.22 8.23 8.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 7.57 7.57 7.57 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.02 6.58 7.14 ChEMBL