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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1908301
CHEMBL1908301
Compound Name FOSFLUCONAZOLE
ChEMBL Synonyms UK-292,663 | FOSFLUCONAZOLE
Max Phase 0
Trade Names
Molecular Formula C13H13F2N6O4P

Additional synonyms for CHEMBL1908301 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OP(=O)(O)OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F
Standard InChI InChI=1S/C13H13F2N6O4P/c14-10-1-2-11(12(15)3-10)13(25-26(22, ...
Download InChI
Standard InChI Key GHJWNRRCRIGGIO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1908301

Molecule Features

CHEMBL1908301 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov FOSFLUCONAZOLE
The Cochrane Collaboration FOSFLUCONAZOLE

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 CHEMBL1908301. 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
CHEMBL4305 Intermediate conductance calcium-activated potassium channel protein 4 Homo sapiens 0.410

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4305 Intermediate conductance calcium-activated potassium channel protein 4 Homo sapiens 0.842
CHEMBL5630 1-deoxy-D-xylulose 5-phosphate reductoisomerase Mycobacterium tuberculosis 0.596

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
386.3 386.0704 0.85 7 128.18 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 0 10 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.44 2.72 -2.29 -6.67 3 26 0.57

Structural Alerts

There are 5 structural alerts for CHEMBL1908301. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GHJWNRRCRIGGIO-UHFFFAOYSA-N
PubChem SID: 144206487

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1908301



ACToR 194798-83-9
ChEBI 31634
DrugCentral 1242
EPA CompTox Dashboard DTXSID3048601
FDA SRS 3JIJ299EWH
IBM Patent System FD154D49AD213F7FCCB784A775A2F65E
MolPort MolPort-035-395-454
Nikkaji J1.645.469I
PubChem 214356
PubChem: Thomson Pharma 14853873
SureChEMBL SCHEMBL378428
ZINC ZINC000003609266

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