CHEMBL4096353


SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(/C=N\O)c3c2)CC1
InChIKey IBCJUIIXFRJMOE-UQQQWYQISA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 436.2

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 6.05 6.05 6.05 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.09 8.09 8.09 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.92 6.92 6.92 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.89 7.89 7.89 ChEMBL
D2 DRD2 Human Dopamine A pKi 9.01 9.14 9.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 7.42 7.42 7.42 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.33 6.33 6.33 ChEMBL