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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL294029
CHEMBL294029
Compound Name RAVUCONAZOLE
ChEMBL Synonyms ER-30346 | Ravuconazole | BMS-207147
Max Phase 1
Trade Names
Molecular Formula C22H17F2N5OS

Additional synonyms for CHEMBL294029 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](c1nc(cs1)c2ccc(cc2)C#N)[C@](O)(Cn3cncn3)c4ccc(F)cc4F
Standard InChI InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25 ...
Download InChI
Standard InChI Key OPAHEYNNJWPQPX-RCDICMHDSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL294029

Molecule Features

CHEMBL294029 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov RAVUCONAZOLE
The Cochrane Collaboration RAVUCONAZOLE

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 CHEMBL294029. 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
CHEMBL6007 Transient receptor potential cation channel subfamily A member 1 Homo sapiens 0.382

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL6007 Transient receptor potential cation channel subfamily A member 1 Homo sapiens 0.940
CHEMBL2793 Casein kinase I alpha Homo sapiens 0.660

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
437.5 437.1122 3.9 6 115.86 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.62 2.73 3.48 3.48 4 31 0.49

Structural Alerts

There are no structural alerts for CHEMBL294029

Compound Cross References

ChemSpider ChemSpider:OPAHEYNNJWPQPX-RCDICMHDSA-N
Wikipedia Ravuconazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL294029



ACToR 182760-06-1
BindingDB 50011476
DrugBank DB06440
eMolecules 29936409
EPA CompTox Dashboard DTXSID40171329
FDA SRS 95YH599JWV
IBM Patent System 7BD0F71B84790678DE5B95DBDD900491
MolPort MolPort-005-935-605
Nikkaji J772.209E
PubChem 467825
PubChem: Drugs of the Future 12014998
PubChem: Thomson Pharma 14783482 14832607
SureChEMBL SCHEMBL939026
ZINC ZINC000000600547

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