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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3301669
CHEMBL3301669
Compound Name DALBAVANCIN
ChEMBL Synonyms DALBAVANCIN HYDROCHLORIDE | VERO001 | DALBAVANCIN | DALVANCE | BI397 | MDL 64,397 | A-A-1
Max Phase 4 (Approved)
Trade Names DALVANCE
Molecular Formula C88H100Cl2N10O28

Additional synonyms for CHEMBL3301669 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN[C@H]1C(=O)N[C@@H]2Cc3ccc(Oc4cc5cc(Oc6ccc(cc6Cl)[C@@H](O)[ ...
Download SMILES
Standard InChI InChI=1S/C88H100Cl2N10O28/c1-38(2)13-10-8-6-7-9-11-14-61(106 ...
Download InChI
Standard InChI Key KGPGQDLTDHGEGT-SZUNQUCBSA-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


CHEMBL3301669

Molecule Features

CHEMBL3301669 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
OsteomyelitisD010019EFO:0003102osteomyelitis3ClinicalTrials
BacteremiaD016470EFO:0003033bacteriemia2ClinicalTrials
PneumoniaD011014EFO:0003106pneumonia3ClinicalTrials

Clinical Data

ClinicalTrials.gov DALBAVANCIN
The Cochrane Collaboration DALBAVANCIN

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
1816.7 1814.6086 - - - -


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 CHEMBL3301669

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01X - OTHER ANTIBACTERIALS
J01XA - Glycopeptide antibacterials
J01XA04 - dalbavancin

ChemSpider ChemSpider:KGPGQDLTDHGEGT-SZUNQUCBSA-N
DailyMed dalbavancin hydrochloride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3301669



ChEBI 82721
DrugCentral 777
FDA SRS B0U42518WL
PubChem 16134627
PubChem: Thomson Pharma 14768801 14939992

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