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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200628
CHEMBL1200628
Compound Name VANCOMYCIN HYDROCHLORIDE
ChEMBL Synonyms VANCOMYCIN HYDROCHLORIDE | VANCOCIN HYDROCHLORIDE | Vancocin | Vanoled | VANCOR | VANCOLED
Max Phase 4 (Approved)
Trade Names VANCOCIN HYDROCHLORIDE | VANCOLED | VANCOMYCIN HYDROCHLORIDE | VANCOR | Vancocin | Vanoled
Molecular Formula C66H76Cl3N9O24

Additional synonyms for CHEMBL1200628 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc ...
Download SMILES
Standard InChI InChI=1S/C66H75Cl2N9O24.ClH/c1-23(2)12-34(71-5)58(88)76-49-5 ...
Download InChI
Standard InChI Key LCTORFDMHNKUSG-XTTLPDOESA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1200628

Molecule Features

CHEMBL1200628 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Peptidoglycan inhibitor Peptidoglycan FDA ISBN PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
CYSTIC FIBROSISD003550Orphanet:586CYSTIC FIBROSIS1ClinicalTrials
ClinicalTrials
INFECTIOND007239EFO:0000544INFECTION3ClinicalTrials
ClinicalTrials

Clinical Data

ClinicalTrials.gov VANCOMYCIN HYDROCHLORIDE
The Cochrane Collaboration VANCOMYCIN HYDROCHLORIDE

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
1449.3 1447.4302 - - - -


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 CHEMBL1200628

Compound Cross References

ChemSpider ChemSpider:LCTORFDMHNKUSG-XTTLPDOESA-N
DailyMed vancomycin hydrochloride
PubChem SID: 50107218

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200628



eMolecules 36000371
FDA SRS 71WO621TJD
MolPort MolPort-003-939-852
PubChem 11947756 6420023
PubChem: Thomson Pharma 14792949 14866477
Selleck vancomycin-hydrochloride-vancocin

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