eticlopride


SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(c1OC)Cl
InChIKey AADCDMQTJNYOSS-LBPRGKRZSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 340.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 3PBL
Ligand site mutations D1 D2 D3 D4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pKi 9.2 9.2 9.2 Guide to Pharmacology
D3 DRD3 Human Dopamine A pKi 8.8 8.8 8.8 Guide to Pharmacology
D4 DRD4 Human Dopamine A pKi 7.0 7.0 7.0 Guide to Pharmacology
D2 DRD2 Rat Dopamine A pKi 9.0 9.67 10.05 ChEMBL
D2 DRD2 Rat Dopamine A pKd 9.77 9.77 9.77 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.15 7.15 7.15 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.8 9.9 9.97 ChEMBL
D2 DRD2 Human Dopamine A pKi 9.59 9.86 10.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Rat Dopamine A pIC50 9.04 9.04 9.04 ChEMBL