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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL264241
CHEMBL264241
Compound Name ANIDULAFUNGIN
ChEMBL Synonyms ANIDULAFUNGIN | 14C-Anidulafungin | ERAXIS | ECALTA
Max Phase 4 (Approved)
Trade Names ERAXIS | ECALTA
Molecular Formula C58H73N7O17

Additional synonyms for CHEMBL264241 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCOc1ccc(cc1)c2ccc(cc2)c3ccc(cc3)C(=O)N[C@H]4C[C@@H](O)[C ...
Download SMILES
Standard InChI InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33- ...
Download InChI
Standard InChI Key JHVAMHSQVVQIOT-MFAJLEFUSA-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


CHEMBL264241

Molecule Features

CHEMBL264241 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
1,3-beta-glucan synthase inhibitor 1,3-beta-glucan synthase DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Candidiasis, InvasiveD058365EFO:1001283Candidiasis, Invasive3ClinicalTrials
PeritonitisD0105384DailyMed
CandidemiaD058387EFO:1001282Candidemia4ClinicalTrials
DailyMed
NeoplasmsD009369EFO:0000311cancer2ClinicalTrials
AspergillosisD001228EFO:0007157aspergillosis3ClinicalTrials
Myelodysplastic SyndromesD009190EFO:0000198myelodysplastic syndrome2ClinicalTrials
Leukemia, Myeloid, AcuteD015470EFO:0000222acute myeloid leukemia2ClinicalTrials
NeutropeniaD0095031ClinicalTrials
InfectionD007239EFO:0000544infection1ClinicalTrials

Clinical Data

ClinicalTrials.gov ANIDULAFUNGIN
The Cochrane Collaboration ANIDULAFUNGIN

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
1140.3 1139.5063 - - - -


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 CHEMBL264241

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J02 - ANTIMYCOTICS FOR SYSTEMIC USE
J02A - ANTIMYCOTICS FOR SYSTEMIC USE
J02AX - Other antimycotics for systemic use
J02AX06 - anidulafungin

ChemSpider ChemSpider:JHVAMHSQVVQIOT-MFAJLEFUSA-N
DailyMed anidulafungin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL264241



ACToR 166663-25-8
BindingDB 50417554
Brenda 155388
ChEBI 55346
ChemicalBook CB71120054
eMolecules 36905381
FDA SRS 9HLM53094I
IBM Patent System B920E385DD86A033B5DFCD1819A47C71
MolPort MolPort-006-167-527
PharmGKB PA164742938
PubChem 166548
PubChem: Drugs of the Future 12014781
PubChem: Thomson Pharma 15264060 14914844
SureChEMBL SCHEMBL38292

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