CHEMBL4105030


SMILES COc1ccccc1N1CCN(CCCCOc2ccn3nc(/C=N/O)cc3c2)CC1
InChIKey WUKHFCSRRUQMMT-HKOYGPOVSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 423.2

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 6.36 6.36 6.36 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.11 8.11 8.11 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.03 7.03 7.03 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.49 8.49 8.49 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.48 8.6 8.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 7.16 7.16 7.16 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.96 6.18 6.4 ChEMBL