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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL262777
CHEMBL262777
Compound Name VANCOMYCIN
ChEMBL Synonyms VANCOMYCIN HYDROCHLORIDE | Vancoled | Vancor | VANCOLED | VANCOCIN HYDROCHLORIDE | VANCOCIN | Vancomycin | VANCOCIN MATRIGEL | VANCOR | Vanoled
Max Phase 4 (Approved)
Trade Names VANCOLED | VANCOCIN HYDROCHLORIDE | VANCOCIN MATRIGEL | VANCOR | VANCOCIN | Vanoled | VANCOMYCIN HYDROCHLORIDE
Molecular Formula C66H75Cl2N9O24

Additional synonyms for CHEMBL262777 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/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83 ...
Download InChI
Standard InChI Key MYPYJXKWCTUITO-LYRMYLQWSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL262777

Molecule Features

CHEMBL262777 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
BacteremiaD016470EFO:0003033bacteriemia3ClinicalTrials
Child Development Disorders, PervasiveD002659EFO:0003756autism spectrum disorder1ClinicalTrials
Clostridium InfectionsD003015EFO:1000874commensal Clostridium infectious disease3ClinicalTrials
ClinicalTrials
Crohn DiseaseD003424EFO:0000384Crohn's disease2ClinicalTrials
Skin DiseasesD012871EFO:0000701skin disease3ClinicalTrials
CellulitisD002481EFO:0003035cellulitis3ClinicalTrials
Colitis, UlcerativeD003093EFO:0000729ulcerative colitis1ClinicalTrials
Pneumonia, BacterialD018410EFO:1001272bacterial pneumonia3ClinicalTrials
Staphylococcal InfectionsD013203EFO:0005681Staphylococcus aureus infection3ClinicalTrials
Staphylococcal Skin InfectionsD013207EFO:1001849staphylococcal skin infections3ClinicalTrials
ClinicalTrials
Graft vs Host DiseaseD006086EFO:0004599acute graft vs. host disease2ClinicalTrials
Pneumonia, Ventilator-AssociatedD053717EFO:1001865ventilator-associated pneumonia2ClinicalTrials
InflammationD007249MP:0001845inflammation3ClinicalTrials
PneumoniaD011014EFO:0003106pneumonia3ClinicalTrials
Prediabetic StateD011236EFO:1001121prediabetes syndrome2ClinicalTrials
Cystic FibrosisD003550Orphanet:586Cystic fibrosis3ClinicalTrials
ClinicalTrials
EndocarditisD004696EFO:0000465endocarditis3ClinicalTrials
Hernias, Diaphragmatic, CongenitalD065630EFO:0005207congenital heart disease2ClinicalTrials
Conjunctivitis, BacterialD003234EFO:1000829bacterial conjunctivitis3ClinicalTrials
ConstipationD003248HP:0002019constipation2ClinicalTrials
Neonatal SepsisD000071074HP:0040187Neonatal sepsis2ClinicalTrials
OsteomyelitisD010019EFO:0003102osteomyelitis3ClinicalTrials
AbscessD000038EFO:0003030abscess3ClinicalTrials
Cholangitis, SclerosingD015209EFO:0004268sclerosing cholangitis3ClinicalTrials
Diabetic FootD017719EFO:1001459diabetic foot3ClinicalTrials
InfectionD007239EFO:0000544infection3ClinicalTrials
ClinicalTrials
ObesityD009765EFO:0001073obesity1ClinicalTrials
Renal Insufficiency, ChronicD051436EFO:0003884chronic kidney disease2ClinicalTrials

Clinical Data

ClinicalTrials.gov VANCOMYCIN
The Cochrane Collaboration VANCOMYCIN

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 CHEMBL262777

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A07 - ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
A07A - INTESTINAL ANTIINFECTIVES
A07AA - Antibiotics
A07AA09 - vancomycin

J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01X - OTHER ANTIBACTERIALS
J01XA - Glycopeptide antibacterials
J01XA01 - vancomycin

ChemSpider ChemSpider:MYPYJXKWCTUITO-LYRMYLQWSA-N
DailyMed vancomycin hydrochloride
PubChem SID: 90341222
Wikipedia Vancomycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL262777



BindingDB 50335519
ChEBI 28001
DrugBank DB00512
DrugCentral 2807
EPA CompTox Dashboard DTXSID0042664
FDA SRS 6Q205EH1VU
Human Metabolome Database HMDB0014653
IBM Patent System 9F7CA888A1DEE3B7A9585CE8D522192D
LINCS LSM-45214
Metabolights MTBLC28001
MolPort MolPort-001-794-649
Nikkaji J34.275K
PharmGKB PA451850
PubChem 14969
PubChem: Thomson Pharma 14842128 14842127
SureChEMBL SCHEMBL3177

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