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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1339
CHEMBL1339
Compound Name VARDENAFIL HYDROCHLORIDE
ChEMBL Synonyms LEVITRA | VARDENAFIL HYDROCHLORIDE | STAXYN
Max Phase 4 (Approved)
Trade Names LEVITRA | STAXYN | VARDENAFIL HYDROCHLORIDE
Molecular Formula C23H33ClN6O4S

Additional synonyms for CHEMBL1339 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CCCc1nc(C)c2c(O)nc(nn12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC)CC ...
Download SMILES
Standard InChI InChI=1S/C23H32N6O4S.ClH/c1-5-8-20-24-16(4)21-23(30)25-22(26 ...
Download InChI
Standard InChI Key XCMULUAPJXCOHI-UHFFFAOYSA-N

Sources

  • Curated Drug Pharmacokinetic Data
  • Orange Book
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1339

Molecule Features

CHEMBL1339 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Phosphodiesterase 5A inhibitor Phosphodiesterase 5A DailyMed

Clinical Data

ClinicalTrials.gov VARDENAFIL HYDROCHLORIDE
The Cochrane Collaboration VARDENAFIL HYDROCHLORIDE

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 CHEMBL1339. 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
CHEMBL1827 Phosphodiesterase 5A Homo sapiens 1.000
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.909
CHEMBL1947 Thyroid hormone receptor beta-1 Homo sapiens 0.892
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.759
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.696

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1827 Phosphodiesterase 5A Homo sapiens 1.000
CHEMBL2717 Phosphodiesterase 11A Homo sapiens 0.987
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.846
CHEMBL1947 Thyroid hormone receptor beta-1 Homo sapiens 0.797
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.689
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.364
CHEMBL1293299 Histone-lysine N-methyltransferase MLL Homo sapiens 0.247

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
488.6 488.2206 2.07 8 112.9 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 0 10 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.13 3.64 3.45 3 34 0.52

Structural Alerts

There are 1 structural alerts for CHEMBL1339. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XCMULUAPJXCOHI-UHFFFAOYSA-N
DailyMed vardenafil hydrochloride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1339



ACToR 224785-91-5
ChemicalBook CB6672278
eMolecules 33507624 30152680
FDA SRS IF61NL91H3
Mcule MCULE-5671555647
MolPort MolPort-027-845-948 MolPort-023-220-212 MolPort-003-666-657
PubChem 10279831 10142962
PubChem: Thomson Pharma 15284838 15134162 16679622
SureChEMBL SCHEMBL973820

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