CHEMBL4069145


SMILES COc1ccccc1N1CCN(CCCCOc2ccc3c(/C=N/O)cnn3c2)CC1
InChIKey CAAIZYOGVIMUEU-KOEQRZSOSA-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 6.0 6.0 6.0 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.33 8.33 8.33 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.0 7.0 7.0 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.64 8.64 8.64 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.38 8.57 8.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 9.49 9.49 9.49 ChEMBL
D2 DRD2 Human Dopamine A pEC50 7.88 8.53 9.36 ChEMBL