SKF-82958


SMILES C=CCN1CCc2c(C(C1)c1ccccc1)cc(c(c2Cl)O)O
InChIKey HJWHHQIVUHOBQN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 329.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations D2

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pKi 8.26 8.26 8.26 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.89 6.57 7.26 ChEMBL
D1 DRD1 Human Dopamine A pKi 7.66 7.66 7.66 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.87 6.87 6.87 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 7.11 7.14 7.17 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.75 5.75 5.75 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 5.79 5.84 5.89 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.33 5.33 5.33 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 8.34 8.34 8.34 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 6.58 6.58 6.58 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Rat Dopamine A pIC50 8.29 8.29 8.29 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 6.47 6.47 6.47 ChEMBL
D1 DRD1 Human Dopamine A pEC50 8.7 8.92 9.14 ChEMBL