trans-flupenthixol

Ligand id: 968

Name: trans-flupenthixol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 52.01
Molecular weight 434.16
XLogP 4.91
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
International Nonproprietary Names
INN number INN
1745 flupentixol
Synonyms
(E)-flupenthixol | beta-flupenthixol | flupentixol hydrochloride | trans-(E)-flupentixol
Database Links
BindingDB Ligand 50026957
CAS Registry No. 53772-85-3 (source: Scifinder)
ChEMBL Ligand CHEMBL42055
DrugBank Ligand DB00875
PubChem CID 5281878
Search Google for chemical match using the InChIKey NJMYODHXAKYRHW-BLLMUTORSA-N
Search Google for chemicals with the same backbone NJMYODHXAKYRHW
Search PubMed clinical trials flupentixol
Search PubMed titles flupentixol
Search PubMed titles/abstracts flupentixol
Search UniChem for chemical match using the InChIKey NJMYODHXAKYRHW-BLLMUTORSA-N
Search UniChem for chemicals with the same backbone NJMYODHXAKYRHW
Wikipedia Flupentixol
Comments
This is the trans molecular form of the approved drug flupentixol, which is the cis form. Trans-flupentixol has lower affinity than cis-flupentixol for the dopamine D2 and D3 receptors [1].