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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL387675
CHEMBL387675
Compound Name DAPTOMYCIN
ChEMBL Synonyms CUBICIN | DAPTOMYCIN | CUBICIN RF
Max Phase 4 (Approved)
Trade Names CUBICIN | CUBICIN RF | DAPTOMYCIN
Molecular Formula C72H101N17O26

Additional synonyms for CHEMBL387675 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)N ...
Download SMILES
Standard InChI InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25- ...
Download InChI
Standard InChI Key DOAKLVKFURWEDJ-RWDRXURGSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL387675

Molecule Features

CHEMBL387675 compound icon
Drug Type:Natural Product-derived 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
Cell membrane inhibitor Cell membrane DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Diabetic FootD017719EFO:1001459diabetic foot3ClinicalTrials
InfectionD007239EFO:0000544infection3ClinicalTrials
BacteremiaD016470EFO:0003033bacteriemia3ClinicalTrials
Pneumonia, BacterialD018410EFO:1001272bacterial pneumonia3ClinicalTrials
Staphylococcal InfectionsD013203EFO:0005681Staphylococcus aureus infection3ClinicalTrials
MeningitisD008581EFO:0000584infectious meningitis1ClinicalTrials
Skin DiseasesD012871EFO:0000701skin disease3ClinicalTrials
OsteomyelitisD010019EFO:0003102osteomyelitis3ClinicalTrials
Renal Insufficiency, ChronicD051436EFO:0003884chronic kidney disease1ClinicalTrials
EndocarditisD004696EFO:0000465endocarditis2ClinicalTrials
SepsisD018805HP:0100806sepsis1ClinicalTrials

Clinical Data

ClinicalTrials.gov DAPTOMYCIN
The Cochrane Collaboration DAPTOMYCIN

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
1620.7 1619.7104 - - - -


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 CHEMBL387675

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01X - OTHER ANTIBACTERIALS
J01XX - Other antibacterials
J01XX09 - daptomycin

ChemSpider ChemSpider:DOAKLVKFURWEDJ-RWDRXURGSA-N
DailyMed daptomycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL387675



ACToR 103060-53-3
ChEBI 600103
ChemicalBook CB8855073
DrugBank DB00080
eMolecules 11312095
EPA CompTox Dashboard DTXSID1041009
Metabolights MTBLC600103
MolPort MolPort-003-846-138
PubChem 16134395
PubChem: Thomson Pharma 14939862 14890837
SureChEMBL SCHEMBL28102

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