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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3127326
CHEMBL3127326
Compound Name OMBITASVIR
ChEMBL Synonyms OMBITASVIR | ABT-267
Max Phase 4 (Approved)
Trade Names
Molecular Formula C50H67N7O8

Additional synonyms for CHEMBL3127326 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]1C(=O)Nc2ccc(cc2)[C@@H]3 ...
Download SMILES
Standard InChI InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10- ...
Download InChI
Standard InChI Key PIDFDZJZLOTZTM-KHVQSSSXSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL3127326

Molecule Features

CHEMBL3127326 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
InfectionD007239EFO:0000544infection1ClinicalTrials
HIV InfectionsD015658EFO:0000764HIV infection2ClinicalTrials
Hepatitis B, ChronicD019694EFO:0004197hepatitis B infection2ClinicalTrials
Hepatitis C, ChronicD019698EFO:0004220Chronic Hepatitis C infection4ClinicalTrials
DailyMed

Clinical Data

ClinicalTrials.gov OMBITASVIR
The Cochrane Collaboration OMBITASVIR

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
894.1 893.5051 7.69 13 178.72 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 4 2 15 4 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.92 4.6 6.64 6.63 3 65 0.13

Structural Alerts

There are 2 structural alerts for CHEMBL3127326. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PIDFDZJZLOTZTM-KHVQSSSXSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3127326



ChEBI 85183
DrugBank DB09296
DrugCentral 4912
FDA SRS 2302768XJ8
IBM Patent System 42D9F00605DF724AAAF702B1255E3687
MolPort MolPort-039-137-483
Nikkaji J3.279.162J
PharmGKB PA166163409
PubChem 54767916
PubChem: Thomson Pharma 131532517
SureChEMBL SCHEMBL8542284
ZINC ZINC000150601177

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