CHEMBL4087187


SMILES COc1ccccc1N1CCN(CCCCOc2ccn3nc(C=O)cc3c2)CC1
InChIKey XTFRBHHJAHSVNA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 408.2

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 6.33 6.33 6.33 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.72 7.72 7.72 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.75 6.75 6.75 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.13 8.13 8.13 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.26 8.27 8.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 8.01 8.02 8.02 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.52 6.29 7.06 ChEMBL