CHEMBL4071868


SMILES CCCN(CCCCOc1ccc2c(/C=N/O)cnn2c1)[C@H]1CCc2c(O)cccc2C1
InChIKey HBUKKEFQANLSNF-XLKFHUSGSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
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 6.22 6.22 6.22 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.19 8.19 8.19 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.06 6.06 6.06 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.39 9.39 9.39 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.6 8.84 9.08 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 7.88 8.98 9.8 ChEMBL