ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3182343
CHEMBL3182343
Compound Name PIVAMPICILLIN
ChEMBL Synonyms PONDOCILLIN | PIVAMPICILLIN | PIVAMPICILLIN PAMOATE | PIVAMPICILLIN HYDROCHLORIDE
Max Phase 4 (Approved)
Trade Names PONDOCILLIN
Molecular Formula C22H29N3O6S

Additional synonyms for CHEMBL3182343 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H ...
Download SMILES
Standard InChI InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4, ...
Download InChI
Standard InChI Key ZEMIJUDPLILVNQ-ZXFNITATSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL3182343

Molecule Features

CHEMBL3182343 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov PIVAMPICILLIN
The Cochrane Collaboration PIVAMPICILLIN

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 CHEMBL3182343. 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
CHEMBL2407 Elastase 2A Sus scrofa 0.969
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.818
CHEMBL5956 Beta-lactamase SHV-1 Escherichia coli 0.606

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2407 Elastase 2A Sus scrofa 0.991
CHEMBL5956 Beta-lactamase SHV-1 Escherichia coli 0.712
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.700

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
463.6 463.1777 1.32 6 128.03 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 0 9 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.16 6.81 3.88 3.8 1 32 0.37

Structural Alerts

There are 9 structural alerts for CHEMBL3182343. 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
J01CA02 - pivampicillin

ChemSpider ChemSpider:ZEMIJUDPLILVNQ-ZXFNITATSA-N
PubChem SID: 144204182 SID: 170466065

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3182343



ACToR 33817-20-8
ChEBI 8255
DrugBank DB01604
DrugCentral 2218
eMolecules 36552910
EPA CompTox Dashboard DTXSID1045459
FDA SRS 0HLM346LL7
Human Metabolome Database HMDB0015542
IBM Patent System 21EAB3A7A6F0E6FADE25D8D4056BEC22
KEGG Ligand C11750
LINCS LSM-6580
Nikkaji J17.773C
PharmGKB PA164776912
PubChem 33478
PubChem: Thomson Pharma 14784801
SureChEMBL SCHEMBL34182
ZINC ZINC000034967244

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