HTMT

Ligand id: 1273

Name: HTMT

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 69.81
Molecular weight 382.2
XLogP 4.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-[2-(3H-imidazol-4-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]heptanamide
Synonyms
histamine-trifluoromethyl-toluidine | histamine-trifluoromethyltoluide | HTFMT
Database Links
CAS Registry No. 103827-16-3 (source: Scifinder)
ChEMBL Ligand CHEMBL67601
PubChem CID 124846
Search Google for chemical match using the InChIKey PMKJGGBYYNEYPA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PMKJGGBYYNEYPA
Search UniChem for chemical match using the InChIKey PMKJGGBYYNEYPA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PMKJGGBYYNEYPA
Wikipedia Histamine_trifluoromethyl_toluidide
Comments
HTMT (dimaleate) is a histamime H1 and H2 receptor agonist.