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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 Carfecillin | Carfecillin Sodium | Carbenicillin Phenyl | BRL-3475 | Carbenicillin Phenyl Sodium
Max Phase 0
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[ ...
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Standard InChI InChI=1S/C23H22N2O6S/c1-23(2)17(21(28)29)25-19(27)16(20(25)3 ...
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Standard InChI Key NZDASSHFKWDBBU-KVMCETHSSA-N

Molecule Features

CHEMBL1095283 compound icon
Drug Type:Natural Product 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

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

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

Alternate Forms of Compound in ChEMBL


CHEMBL1095283

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 NEUTRAL


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
13.28 7.91 4.21 3.6 2 32 0.28

Compound Cross References

ATC G - GENITO URINARY SYSTEM AND SEX HORMONES
G01 - GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
G01A - ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS
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
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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