A77636


SMILES NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3
InChIKey QLJOSZATCBCBDR-DFKUFRTHSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 2
Molecular weight (Da) 329.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7CKX

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pKi 8.74 8.74 8.74 Guide to Pharmacology
D1 DRD1 Rat Dopamine A pKi 7.52 7.52 7.52 ChEMBL
D1 DRD1 Human Dopamine A pKi 7.68 7.68 7.68 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.81 5.81 5.81 ChEMBL
D1 DRD1 Pig Dopamine A pKi 8.41 8.41 8.41 ChEMBL
D2 DRD2 Rat Dopamine A pKi 5.75 5.75 5.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Rat Dopamine A pEC50 8.29 8.29 8.29 ChEMBL
D1 DRD1 Human Dopamine A pEC50 8.52 8.52 8.52 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.5 4.5 4.5 ChEMBL
D1 DRD1 Goldfish Dopamine A pEC50 8.09 8.09 8.09 ChEMBL