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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1095283
CHEMBL1095283
Compound Name CARBENICILLIN PHENYL
ChEMBL Synonyms BRL-3475 | CARFECILLIN | CARFECILLIN SODIUM | CARBENICILLIN PHENYL SODIUM
Max Phase 4 (Approved)
Trade Names
Molecular Formula C23H22N2O6S

Additional synonyms for CHEMBL1095283 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)Oc3ccccc3)c4ccccc4)C(=O)N2[ ...
Download SMILES
Standard InChI InChI=1S/C23H22N2O6S/c1-23(2)17(21(28)29)25-19(27)16(20(25)3 ...
Download InChI
Standard InChI Key NZDASSHFKWDBBU-KVMCETHSSA-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


CHEMBL1095283

Molecule Features

CHEMBL1095283 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 CARBENICILLIN PHENYL
The Cochrane Collaboration CARBENICILLIN PHENYL

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
454.5 454.1199 2.53 7 138.31 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.44 - 2.85 -.87 2 32 0.28

Structural Alerts

There are 8 structural alerts for CHEMBL1095283. To view alerts please click here.

Compound Cross References

ATC G - GENITO URINARY SYSTEM AND SEX HORMONES
G01 - GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
G01A - ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
G01AA - Antibiotics
G01AA08 - carfecillin

ChemSpider ChemSpider:NZDASSHFKWDBBU-KVMCETHSSA-N
Wikipedia Carfecillin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1095283



ACToR 27025-49-6
ChEBI 3414
DrugCentral 507
IBM Patent System 77540D32931889BCF4F079E3C267A46E
KEGG Ligand C11752
Nikkaji J10.419A
PubChem 33672
PubChem: Thomson Pharma 15033159
SureChEMBL SCHEMBL150615

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