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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1214
CHEMBL1214
Compound Name CARBENICILLIN
ChEMBL Synonyms BRL-2064 | CARBENICILLIN SODIUM | CARBENICILLIN | GS-3159 | PYOPEN | CP-15-639-2 | Pyopen | CARBENICILLIN DISODIUM | GEOPEN | Geopen | Geocillin | CARBENICILLIN POTASSIUM
Max Phase 4 (Approved)
Trade Names PYOPEN | GEOPEN
Molecular Formula C17H18N2O6S

Additional synonyms for CHEMBL1214 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(= ...
Download SMILES
Standard InChI InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)2 ...
Download InChI
Standard InChI Key FPPNZSSZRUTDAP-UWFZAAFLSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Orange Book
  • 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


CHEMBL1214

Molecule Features

CHEMBL1214 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Bacterial penicillin-binding protein inhibitor Bacterial penicillin-binding protein PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
OsteomyelitisD010019EFO:0003102osteomyelitis0ClinicalTrials
ClinicalTrials

Clinical Data

ClinicalTrials.gov CARBENICILLIN
The Cochrane Collaboration CARBENICILLIN

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
378.4 378.0886 0.49 5 124.01 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.44 - 1.13 -3.62 1 26 0.5

Structural Alerts

There are 6 structural alerts for CHEMBL1214. 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
J01CA03 - carbenicillin

ChemSpider ChemSpider:FPPNZSSZRUTDAP-UWFZAAFLSA-N
Wikipedia Carbenicillin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1214



ACToR 4697-36-3
Brenda 56364 1436
ChEBI 3393
ChemicalBook CB0243304
DrugBank DB00578
DrugCentral 492
eMolecules 535811
EPA CompTox Dashboard DTXSID6048464
Human Metabolome Database HMDB0014717
IBM Patent System 36C7D46DE29990C21093F9A7C3FDE882
KEGG Ligand C06869
MolPort MolPort-006-116-396
Nikkaji J3.066J
PharmGKB PA448788
PubChem 20824
PubChem: Thomson Pharma 15473829
SureChEMBL SCHEMBL3375

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