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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL719
CHEMBL719
Compound Name MUPIROCIN
ChEMBL Synonyms BRL 4910A | BRL-4910F | CENTANY | BRL 4910F | MUPIROCIN | PSEUDOMONIC ACID | MUPIROCIN CALCIUM | BACTROBAN
Max Phase 4 (Approved)
Trade Names CENTANY | BACTROBAN | MUPIROCIN
Molecular Formula C26H44O9

Additional synonyms for CHEMBL719 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]2CO[C@@H](C\C(=C\C(=O)O ...
Download SMILES
Standard InChI InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28) ...
Download InChI
Standard InChI Key MINDHVHHQZYEEK-HBBNESRFSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL719

Molecule Features

CHEMBL719 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Isoleucyl-tRNA synthetase inhibitor Isoleucyl-tRNA synthetase DailyMed
Isoleucyl-tRNA synthetase inhibitor Isoleucyl-tRNA synthetase DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Staphylococcal InfectionsD013203EFO:0005681Staphylococcus aureus infection3ClinicalTrials
HemangiomaD006391EFO:1000635hemangioma2ClinicalTrials
Nasal ObstructionD015508HP:0001742Nasal obstruction4ATC
ImpetigoD007169EFO:1000714impetigo1ClinicalTrials
InfectionD007239EFO:0000544infection3ClinicalTrials
OsteomyelitisD010019EFO:0003102osteomyelitis0ClinicalTrials
Wounds and InjuriesD014947EFO:0000546injury1ClinicalTrials
Cystic FibrosisD003550Orphanet:586Cystic fibrosis2ClinicalTrials

Clinical Data

ClinicalTrials.gov MUPIROCIN
The Cochrane Collaboration MUPIROCIN

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL719. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL1987 Prostanoid FP receptor Homo sapiens 1.000
CHEMBL4349 N-acylsphingosine-amidohydrolase Homo sapiens 0.963
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.907
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.897
CHEMBL1822 Inosine-5'-monophosphate dehydrogenase 1 Homo sapiens 0.632
CHEMBL3262 Lanosterol synthase Rattus norvegicus 0.625
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 0.368
CHEMBL1881 Prostanoid EP2 receptor Homo sapiens 0.292



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1987 Prostanoid FP receptor Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.977
CHEMBL4349 N-acylsphingosine-amidohydrolase Homo sapiens 0.848
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 0.829
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 0.723
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 0.676
CHEMBL1881 Prostanoid EP2 receptor Homo sapiens 0.664
CHEMBL3321 Monoglyceride lipase Rattus norvegicus 0.550
CHEMBL3513 Acidic alpha-glucosidase Rattus norvegicus 0.543
CHEMBL1811 Prostanoid EP1 receptor Homo sapiens 0.499
CHEMBL3262 Lanosterol synthase Rattus norvegicus 0.497
CHEMBL3815 Squalene synthetase Rattus norvegicus 0.477
CHEMBL1822 Inosine-5'-monophosphate dehydrogenase 1 Homo sapiens 0.446
CHEMBL2304401 Cytosolic phospholipase A2 Bos taurus 0.390

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
500.6 500.2985 2.59 16 146.05 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 1 9 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.78 - 2.24 -.36 0 35 0.11

Structural Alerts

There are 18 structural alerts for CHEMBL719. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D06 - ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
D06A - ANTIBIOTICS FOR TOPICAL USE
D06AX - Other antibiotics for topical use
D06AX09 - mupirocin

R - RESPIRATORY SYSTEM
R01 - NASAL PREPARATIONS
R01A - DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
R01AX - Other nasal preparations
R01AX06 - mupirocin

ChemSpider ChemSpider:MINDHVHHQZYEEK-HBBNESRFSA-N
DailyMed mupirocin mupirocin calcium
PubChem SID: 144205736 SID: 47193668 SID: 50111691
Wikipedia Mupirocin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL719



ACToR 12650-69-0
BindingDB 50290686
ChEBI 7025
ChemicalBook CB0689829
DrugBank DB00410
DrugCentral 1857
eMolecules 27678882 31267427 592210
EPA CompTox Dashboard DTXSID0046438
FDA SRS D0GX863OA5
Human Metabolome Database HMDB0014554
KEGG Ligand C11758
LINCS LSM-43176
Metabolights MTBLC7025
MolPort MolPort-003-666-882
NIH Clinical Collection SAM002589979
Nikkaji J15.623J
PharmGKB PA164764568
PubChem 446596
PubChem: Drugs of the Future 12013725
PubChem: Thomson Pharma 14859952 14933324
SureChEMBL SCHEMBL3291
ZINC ZINC000004102194

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