ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1614637
CHEMBL1614637
Compound Name PHENETHICILLIN
ChEMBL Synonyms SYNCILLIN | PENICILLIN-152 POTASSIUM | CHEMIPEN | BROXIL | PHENETICILLIN POTASSIUM | PHENETHICILLIN POTASSIUM | PHENETICILLIN
Max Phase 4 (Approved)
Trade Names BROXIL | SYNCILLIN | CHEMIPEN
Molecular Formula C17H20N2O5S

Additional synonyms for CHEMBL1614637 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(Oc1ccccc1)C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O
Standard InChI InChI=1S/C17H20N2O5S/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14( ...
Download InChI
Standard InChI Key NONJJLVGHLVQQM-JHXYUMNGSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1614637

Molecule Features

CHEMBL1614637 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov PHENETHICILLIN
The Cochrane Collaboration PHENETHICILLIN

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
364.4 364.1093 1.09 5 95.94 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.44 - 2.29 -1.43 1 25 0.76

Structural Alerts

There are 3 structural alerts for CHEMBL1614637. 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
J01CE - Beta-lactamase sensitive penicillins
J01CE05 - pheneticillin

ChemSpider ChemSpider:NONJJLVGHLVQQM-JHXYUMNGSA-N
Wikipedia Pheneticillin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1614637



ACToR 147-55-7
Brenda 107028
ChEBI 52427
DrugBank DB13337
DrugCentral 2124
EPA CompTox Dashboard DTXSID6023448
IBM Patent System 67B585857418453E35E21E3032D2C71E
LINCS LSM-15176
Nikkaji J10.198B
PubChem 272833
PubChem: Thomson Pharma 14779237
SureChEMBL SCHEMBL3862

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