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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL74632
CHEMBL74632
Compound Name MOXALACTAM
ChEMBL Synonyms Moxalactam | LATAMOXEF | MOXALACTAM DISODIUM | Moxam | LATAMOXEF SODIUM | LY-127935 | Shiomarin | MOXAM
Max Phase 4 (Approved)
Trade Names MOXAM | Shiomarin
Molecular Formula C20H20N6O9S

Additional synonyms for CHEMBL74632 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@]1(NC(=O)C(C(=O)O)c2ccc(O)cc2)[C@H]3OCC(=C(N3C1=O)C(=O) ...
Download SMILES
Standard InChI InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20 ...
Download InChI
Standard InChI Key JWCSIUVGFCSJCK-CAVRMKNVSA-N

Sources

  • 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


CHEMBL74632

Molecule Features

CHEMBL74632 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Bacterial penicillin-binding protein inhibitor Bacterial penicillin-binding protein ISBN ISBN

Clinical Data

ClinicalTrials.gov MOXALACTAM
The Cochrane Collaboration MOXALACTAM

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 CHEMBL74632. 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
CHEMBL4068 Chymase Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.441
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.222

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4068 Chymase Homo sapiens 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
520.5 520.1012 -1.13 9 206.3 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 4 2 15 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.25 .67 -2.56 -7.31 2 36 0.13

Structural Alerts

There are 9 structural alerts for CHEMBL74632. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01D - OTHER BETA-LACTAM ANTIBACTERIALS
J01DD - Third-generation cephalosporins
J01DD06 - latamoxef

ChemSpider ChemSpider:JWCSIUVGFCSJCK-CAVRMKNVSA-N
Wikipedia Latamoxef

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL74632



ACToR 79120-38-0 64952-97-2
BindingDB 50370589
Brenda 3527 106463
ChEBI 599928
DrugBank DB04570
DrugCentral 1851
eMolecules 3716092
EPA CompTox Dashboard DTXSID9023338
Human Metabolome Database HMDB0015574
KEGG Ligand C07231
Nikkaji J24.500C
PharmGKB PA164743144
PubChem 47499
PubChem: Thomson Pharma 14787236 15060840
SureChEMBL SCHEMBL194012

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