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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3039514
CHEMBL3039514
Compound Name ELBASVIR
ChEMBL Synonyms ELBASVIR
Max Phase 4 (Approved)
Trade Names
Molecular Formula C49H55N9O7

Additional synonyms for CHEMBL3039514 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c2nc(c[nH]2)c3ccc4c(O[C ...
Download SMILES
Standard InChI InChI=1S/C49H55N9O7/c1-27(2)41(54-48(61)63-5)45(59)56-20-10- ...
Download InChI
Standard InChI Key BVAZQCUMNICBAQ-PZHYSIFUSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL3039514

Molecule Features

CHEMBL3039514 compound icon
Drug Type:Synthetic Small Molecule 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
Nonstructural protein 5A inhibitor Nonstructural protein 5A FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Hepatitis CD006526EFO:0003047hepatitis C infection3ClinicalTrials
Hepatitis C, ChronicD019698EFO:0004220Chronic Hepatitis C infection4ClinicalTrials
FDA
Hepatitis, Viral, HumanD006525EFO:0004196viral human hepatitis infection1ClinicalTrials
InfectionD007239EFO:0000544infection3ClinicalTrials

Clinical Data

ClinicalTrials.gov ELBASVIR
The Cochrane Collaboration ELBASVIR

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
882 881.4224 8.12 11 188.8 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 4 2 16 4 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.22 6.51 6.02 5.96 6 65 0.1

Structural Alerts

There are 3 structural alerts for CHEMBL3039514. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BVAZQCUMNICBAQ-PZHYSIFUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3039514



ChEBI 132967
DrugBank DB11574
DrugCentral 5080
FDA SRS 632L571YDK
MolPort MolPort-046-069-318
Nikkaji J3.294.119B
PharmGKB PA166163436
PubChem 71661251
SureChEMBL SCHEMBL17429773
ZINC ZINC000150588351

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