CHEMBL4071185


SMILES CCCN(CCCCOc1ccc2c(C=O)cnn2c1)[C@H]1CCc2c(O)cccc2C1
InChIKey NWVXCTHMKYPUKK-NRFANRHFSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 421.2

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 8.1 8.1 8.1 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.85 5.85 5.85 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.8 8.8 8.8 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.64 5.64 5.64 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.62 8.82 9.03 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 7.75 8.98 9.92 ChEMBL