CHEMBL4094869


SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@@H]1CCc2c(O)cccc2C1
InChIKey IWAHIMCMPBOXKG-HXUWFJFHSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 393.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pKi 7.08 7.08 7.08 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.89 7.89 7.89 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.8 5.8 5.8 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.02 7.21 7.41 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.43 5.43 5.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 6.79 7.92 8.82 ChEMBL