trans-flupenthixol


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

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pKi 6.92 6.92 6.92 Guide to Pharmacology
D3 DRD3 Human Dopamine A pKi 6.52 6.52 6.52 Guide to Pharmacology
D1 DRD1 Bovine Dopamine A pKi 7.75 7.75 7.75 ChEMBL
D1 DRD1 Rat Dopamine A pKi 7.42 7.42 7.42 ChEMBL
κ OPRK Guinea pig Opioid A pKi 7.77 7.77 7.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.3 5.67 6.05 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.7 4.7 4.7 ChEMBL