A68930


SMILES NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1
InChIKey SUHGRZPINGKYNV-GJZGRUSLSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 2
Molecular weight (Da) 271.1

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
D2 DRD2 Rat Dopamine A pKi 6.09 6.1 6.11 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.59 5.59 5.59 ChEMBL
D1 DRD1 Rat Dopamine A pKi 8.52 8.52 8.52 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 8.52 8.66 8.8 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.11 6.11 6.11 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pEC50 6.82 6.82 6.82 Guide to Pharmacology
D2 DRD2 Rat Dopamine A pEC50 4.99 5.16 5.41 ChEMBL
D1 DRD1 Human Dopamine A pEC50 8.68 8.7 8.71 ChEMBL
D5 DRD5 Human Dopamine A pEC50 6.6 6.6 6.6 Guide to Pharmacology
D1 DRD1 Rat Dopamine A pEC50 8.71 8.71 8.71 ChEMBL