<i>trans</i>-flupenthixol | Ligand page | IUPHAR/BPS Guide to PHARMACOLOGY

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Ligands
trans-flupenthixol

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	4.42
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

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

Synonyms

(E)-flupenthixol | beta-flupenthixol | flupentixol hydrochloride | trans-(E)-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].

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].

Database Links
BindingDB Ligand	50026957
CAS Registry No.	53772-85-3 (source: Scifinder)
ChEMBL Ligand	CHEMBL42055
DrugBank Ligand	DB00875
GtoPdb PubChem SID	135651274
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