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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1650818
CHEMBL1650818
Compound Name AMDINOCILLIN PIVOXIL
ChEMBL Synonyms SELEXID | PIVMECILLINAM | PIVMECILLINAM HYDROCHLORIDE | COACTABS | RO 10-9071 | AMDINOCILLIN PIVOXIL
Max Phase 4 (Approved)
Trade Names SELEXID | COACTABS
Molecular Formula C21H33N3O5S

Additional synonyms for CHEMBL1650818 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](\N=C\N3CCC ...
Download SMILES
Standard InChI InChI=1S/C21H33N3O5S/c1-20(2,3)19(27)29-13-28-18(26)15-21(4, ...
Download InChI
Standard InChI Key NPGNOVNWUSPMDP-UTEPHESZSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1650818

Molecule Features

CHEMBL1650818 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 AMDINOCILLIN PIVOXIL
The Cochrane Collaboration AMDINOCILLIN PIVOXIL

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 CHEMBL1650818. 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
CHEMBL5956 Beta-lactamase SHV-1 Escherichia coli 1.000
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.937
CHEMBL2065 Beta-lactamase TEM Escherichia coli 0.815
CHEMBL2407 Elastase 2A Sus scrofa 0.663
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 0.422
CHEMBL2725 Beta-lactamase Enterobacter cloacae 0.302
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.284
CHEMBL2672 Muscarinic acetylcholine receptor M1 Bos taurus 0.203



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5956 Beta-lactamase SHV-1 Escherichia coli 1.000
CHEMBL2725 Beta-lactamase Enterobacter cloacae 0.892
CHEMBL2065 Beta-lactamase TEM Escherichia coli 0.856
CHEMBL2407 Elastase 2A Sus scrofa 0.759
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 0.717
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.674
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.626
CHEMBL2672 Muscarinic acetylcholine receptor M1 Bos taurus 0.247

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
439.6 439.2141 2.41 5 88.51 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 0 0 8 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.11 1.38 .62 0 30 0.21

Structural Alerts

There are 11 structural alerts for CHEMBL1650818. 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
J01CA08 - pivmecillinam

ChemSpider ChemSpider:NPGNOVNWUSPMDP-UTEPHESZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1650818



ACToR 337376-15-5
DrugCentral 2219
FDA SRS 1WAM1OQ30B
LINCS LSM-3494
MolPort MolPort-039-139-775
Nikkaji J17.761J
SureChEMBL SCHEMBL33908
ZINC ZINC000004214799

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