ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL448343
CHEMBL448343
Compound Name LESOGABERAN
ChEMBL Synonyms Lesogaberan | AZD-3355 | AZD3355
Max Phase 2
Trade Names
Molecular Formula C3H9FNO2P

Additional synonyms for CHEMBL448343 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC[C@@H](F)CP(=O)O
Standard InChI InChI=1S/C3H9FNO2P/c4-3(1-5)2-8(6)7/h3,8H,1-2,5H2,(H,6,7)/t3 ...
Download InChI
Standard InChI Key LJNUIEQATDYXJH-GSVOUGTGSA-N

Sources

  • Clinical Candidates
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL448343

Molecule Features

CHEMBL448343 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Mechanism of Action

Mechanism of Action ChEMBL Target References
GABA-B receptor 1 agonist GABA-B receptor 1 Other PubMed
GABA-B receptor 2 agonist GABA-B receptor 2 Other PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Gastroesophageal RefluxD005764EFO:0003948gastroesophageal reflux disease2ClinicalTrials

Clinical Data

ClinicalTrials.gov LESOGABERAN
The Cochrane Collaboration LESOGABERAN

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
141.1 141.0355 -0.25 3 63.32 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 3 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.52 8.61 -2.83 -5.35 0 8 0.53

Structural Alerts

There are 1 structural alerts for CHEMBL448343. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LJNUIEQATDYXJH-GSVOUGTGSA-N
Wikipedia Lesogaberan

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL448343



BindingDB 24195
DrugBank DB11920
EPA CompTox Dashboard DTXSID20188011
FDA SRS 4D6Q6HGC7Z
Guide to Pharmacology 7705
IBM Patent System DB7DE28419FBB1B426A26EEFDB908617
Nikkaji J1.949.171D
PubChem 16686147
PubChem: Drugs of the Future 123055330
PubChem: Thomson Pharma 14793815
SureChEMBL SCHEMBL349234
ZINC ZINC000040829484

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/LJNUIEQATDYXJH-GSVOUGTGSA-N spacer
spacer