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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1688530
CHEMBL1688530
Compound Name ORITAVANCIN
ChEMBL Synonyms ORITAVANCIN | ORITAVANCIN DIPHOSPHATE | LY-333328 | ORBACTIV
Max Phase 4 (Approved)
Trade Names ORBACTIV
Molecular Formula C86H97Cl3N10O26

Additional synonyms for CHEMBL1688530 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc ...
Download SMILES
Standard InChI InChI=1S/C86H97Cl3N10O26/c1-35(2)22-51(92-7)77(110)98-67-69( ...
Download InChI
Standard InChI Key VHFGEBVPHAGQPI-LXKZPTCJSA-N

Sources

  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1688530

Molecule Features

CHEMBL1688530 compound icon
Drug Type:Unknown Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Peptidoglycan inhibitor Peptidoglycan FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
CellulitisD002481EFO:0003035cellulitis3ClinicalTrials
InflammationD007249MP:0001845inflammation3ClinicalTrials
AbscessD000038EFO:0003030abscess3ClinicalTrials
InfectionD007239EFO:0000544infection3ClinicalTrials

Clinical Data

ClinicalTrials.gov ORITAVANCIN
The Cochrane Collaboration ORITAVANCIN

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
1793.1 1790.5641 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL1688530

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01X - OTHER ANTIBACTERIALS
J01XA - Glycopeptide antibacterials
J01XA05 - oritavancin

ChemSpider ChemSpider:VHFGEBVPHAGQPI-LXKZPTCJSA-N
DailyMed oritavancin diphosphate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1688530



ACToR 171099-57-3
ChEBI 82699
DrugBank DB04911
DrugCentral 4678
FDA SRS PUG62FRZ2E
IBM Patent System DDE6DAE86C4F8D3283126AD033CFF74E
KEGG Ligand C12034
Nikkaji J748.482H
PubChem 101991076 16136912
PubChem: Thomson Pharma 14915505 14939982
SureChEMBL SCHEMBL9947049

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