ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1255800
CHEMBL1255800
Compound Name FIDAXOMICIN
ChEMBL Synonyms PAR-101 | OPT-80 | FIDAXOMICIN | DIFICID
Max Phase 4 (Approved)
Trade Names DIFICID
Molecular Formula C52H74Cl2O18

Additional synonyms for CHEMBL1255800 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H]1\C=C(/C)\[C@@H](O)C\C=C\C=C(/CO[C@@H]2O[C@H](C)[C@@H ...
Download SMILES
Standard InChI InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31( ...
Download InChI
Standard InChI Key ZVGNESXIJDCBKN-UUEYKCAUSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1255800

Molecule Features

CHEMBL1255800 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
DNA-directed RNA polymerase inhibitor DNA-directed RNA polymerase DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
DIARRHEAD003967HP:0002014DIARRHEA4DailyMed

Clinical Data

ClinicalTrials.gov FIDAXOMICIN
The Cochrane Collaboration FIDAXOMICIN

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
1058 1056.4252 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL1255800

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A07 - ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
A07A - INTESTINAL ANTIINFECTIVES
A07AA - Antibiotics
A07AA12 - fidaxomicin

ChemSpider ChemSpider:ZVGNESXIJDCBKN-UUEYKCAUSA-N
DailyMed fidaxomicin
Wikipedia Fidaxomicin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1255800



DrugCentral 4180
FDA SRS Z5N076G8YQ
PubChem 10034073
PubChem: Drugs of the Future 22395184
PubChem: Thomson Pharma 15015656
SureChEMBL SCHEMBL10000818

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