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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1256734
CHEMBL1256734
Compound Name SULBENICILLIN
ChEMBL Synonyms SULFOBENZYLPENICILLIN | SULBENICILLIN | SULBENICILLIN SODIUM
Max Phase 0
Trade Names
Molecular Formula C16H18N2O7S2

Additional synonyms for CHEMBL1256734 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)S[C@@H]2[C@H](NC(=O)C(c3ccccc3)S(=O)(=O)O)C(=O)N2[C@H] ...
Download SMILES
Standard InChI InChI=1S/C16H18N2O7S2/c1-16(2)11(15(21)22)18-13(20)9(14(18)2 ...
Download InChI
Standard InChI Key JETQIUPBHQNHNZ-OAYJICASSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1256734

Molecule Features

CHEMBL1256734 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov SULBENICILLIN
The Cochrane Collaboration SULBENICILLIN

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
414.5 414.0555 0.25 5 141.08 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 9 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.28 - -.51 -5.26 1 27 0.46

Structural Alerts

There are 7 structural alerts for CHEMBL1256734. 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
J01CA16 - sulbenicillin

ChemSpider ChemSpider:JETQIUPBHQNHNZ-OAYJICASSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1256734



ACToR 12772-42-8 34779-28-7
ChEBI 9322
IBM Patent System A74A0C68D5BCE17DC7ED04A7193E78FF
KEGG Ligand C11170
Nikkaji J16.405D J20.454D
PubChem 39031
SureChEMBL SCHEMBL34380

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