ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201266
CHEMBL1201266
Compound Name LODOXAMIDE
ChEMBL Synonyms U-42,585E | LODOXAMIDE TROMETAMOL | LODOXAMIDE TROMETHAMINE | LODOXAMIDE | U-42585E | ALOMIDE
Max Phase 4 (Approved)
Trade Names ALOMIDE
Molecular Formula C11H6ClN3O6

Additional synonyms for CHEMBL1201266 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C(=O)Nc1cc(cc(NC(=O)C(=O)O)c1Cl)C#N
Standard InChI InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7 ...
Download InChI
Standard InChI Key RVGLGHVJXCETIO-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1201266

Molecule Features

CHEMBL1201266 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Unknown Not Available DailyMed

Clinical Data

ClinicalTrials.gov LODOXAMIDE
The Cochrane Collaboration LODOXAMIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1201266. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL3833 Trace amine-associated receptor 1 Rattus norvegicus 0.338

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3833 Trace amine-associated receptor 1 Rattus norvegicus 0.259

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
311.6 310.9945 0.17 4 156.58 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 0 9 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.07 - -.38 -5.13 1 21 0.58

Structural Alerts

There are 7 structural alerts for CHEMBL1201266. To view alerts please click here.

Compound Cross References

ATC S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01G - DECONGESTANTS AND ANTIALLERGICS
S01GX - Other antiallergics
S01GX05 - lodoxamide

ChemSpider ChemSpider:RVGLGHVJXCETIO-UHFFFAOYSA-N
DailyMed lodoxamide tromethamine
PubChem SID: 170465346
Wikipedia Lodoxamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201266



ACToR 53882-12-5
ChEBI 135333
DrugBank DB06794
DrugCentral 3325
EPA CompTox Dashboard DTXSID9057767
FDA SRS SPU695OD73
IBM Patent System B64E7558CB9E93AFBC38933AB2BBDA70
Nikkaji J10.842A
PubChem 44564
PubChem: Thomson Pharma 16828166
SureChEMBL SCHEMBL119881
ZINC ZINC000002000707

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