CHEMBL288090


SMILES C=CCN1CCc2cc(O)c(O)cc2C(c2ccccc2)C1
InChIKey QBUVZVXIRYFENV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 295.2

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
D1 DRD1 Human Dopamine A pKi 7.92 7.92 7.92 ChEMBL
D1 DRD1 Human Dopamine A pKi 7.14 7.14 7.14 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.24 6.24 6.24 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.68 5.68 5.68 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 8.0 8.0 8.0 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 5.52 5.54 5.57 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.52 5.52 5.52 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 7.98 7.98 7.98 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 6.0 6.0 6.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Rat Dopamine A pEC50 7.6 7.6 7.6 ChEMBL
D1 DRD1 Rat Dopamine A pIC50 7.71 7.71 7.71 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 5.62 5.62 5.62 ChEMBL
D1 DRD1 Human Dopamine A pEC50 9.0 9.0 9.0 ChEMBL