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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1731
CHEMBL1731
Compound Name MEZLOCILLIN
ChEMBL Synonyms MEZLIN | MEZLOCILLIN | BAYPEN | MEZLOCILLIN SODIUM | MEZLOCILLIN SODIUM MONOHYDRATE | MULTOCILLIN
Max Phase 4 (Approved)
Trade Names BAYPEN | MEZLIN | MULTOCILLIN
Molecular Formula C21H25N5O8S2

Additional synonyms for CHEMBL1731 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(C3=O)S(=O)(=O)C) ...
Download SMILES
Standard InChI InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26) ...
Download InChI
Standard InChI Key YPBATNHYBCGSSN-VWPFQQQWSA-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


CHEMBL1731

Molecule Features

CHEMBL1731 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:Discontinued

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
OsteomyelitisD010019EFO:0003102osteomyelitis0ClinicalTrials
ClinicalTrials

Clinical Data

ClinicalTrials.gov MEZLOCILLIN
The Cochrane Collaboration MEZLOCILLIN

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
539.6 539.1145 -0.23 6 173.5 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 1 13 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.44 - .33 -3.4 1 36 0.41

Structural Alerts

There are 6 structural alerts for CHEMBL1731. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01C - BETA-LACTAM ANTIBACTERIALS, PENICILLINS
J01CA - Penicillins with extended spectrum
J01CA10 - mezlocillin

ChemSpider ChemSpider:YPBATNHYBCGSSN-VWPFQQQWSA-N
PubChem SID: 144206027
Wikipedia Mezlocillin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1731



ACToR 51481-65-3
Brenda 32292
ChEBI 6919
ChemicalBook CB9268151
DrugBank DB00948
DrugCentral 1795
eMolecules 30100390
EPA CompTox Dashboard DTXSID1023316
FDA SRS OH2O403D1G
Human Metabolome Database HMDB0015083
IBM Patent System 48F58B0742FBA18CF9A2B3D9D5BDBBE8
KEGG Ligand C07221
MolPort MolPort-006-129-469
Nikkaji J11.231C
PharmGKB PA164750540
PubChem 656511
PubChem: Thomson Pharma 14812305
SureChEMBL SCHEMBL34075
ZINC ZINC000003831120

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