CHEMBL4097330


SMILES CCCN(CCCCOc1ccc2ccnn2c1)[C@H]1CCc2c(O)cccc2C1
InChIKey JQXMVFBXXAKVDC-NRFANRHFSA-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
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 5.68 5.68 5.68 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.82 8.82 8.82 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.7 5.7 5.7 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.15 9.15 9.15 ChEMBL
D2 DRD2 Human Dopamine A pKi 9.12 9.16 9.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 9.32 9.32 9.32 ChEMBL
D2 DRD2 Human Dopamine A pEC50 7.58 8.7 9.96 ChEMBL