flupentixol


SMILES OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F
InChIKey NJMYODHXAKYRHW-DVZOWYKESA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 434.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 9LLG 9LLI
Ligand site mutations D1 D2 D5

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pKi 7.0 7.7 8.4 Guide to Pharmacology
D2 DRD2 Human Dopamine A pKi 8.82 8.82 8.82 Guide to Pharmacology
D3 DRD3 Human Dopamine A pKi 8.96 8.96 8.96 Guide to Pharmacology
D5 DRD5 Human Dopamine A pKi 8.1 8.1 8.1 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Rat Dopamine A pIC50 9.52 9.52 9.52 ChEMBL