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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1908324
CHEMBL1908324
Compound Name METAMPICILLIN
ChEMBL Synonyms METAMPICILLIN
Max Phase 0
Trade Names
Molecular Formula C17H19N3O4S

Additional synonyms for CHEMBL1908324 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](N=C)c3ccccc3)C(=O)N2[C@H]1C( ...
Download SMILES
Standard InChI InChI=1S/C17H19N3O4S/c1-17(2)12(16(23)24)20-14(22)11(15(20)2 ...
Download InChI
Standard InChI Key FZECHKJQHUVANE-MCYUEQNJSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1908324

Molecule Features

CHEMBL1908324 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 METAMPICILLIN
The Cochrane Collaboration METAMPICILLIN

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
361.4 361.1096 1.06 5 99.07 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 2.73 2.7 -1.02 1 25 0.6

Structural Alerts

There are 4 structural alerts for CHEMBL1908324. 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
J01CA14 - metampicillin

ChemSpider ChemSpider:FZECHKJQHUVANE-MCYUEQNJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1908324



ACToR 6489-97-0
BindingDB 50370588
ChEBI 52060
DrugBank DB13836
DrugCentral 1718
EPA CompTox Dashboard DTXSID5048479
FDA SRS G0H6U7VSTK
IBM Patent System CC1C24794EE269F3B3645B492926E638
LINCS LSM-15186
Nikkaji J9.598B
PubChem 6713928
SureChEMBL SCHEMBL34032
ZINC ZINC000003874216

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