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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL316157
CHEMBL316157
Compound Name CEPHALORIDINE
ChEMBL Synonyms Cephaloridine | KEFLORIDIN | CEFALORIDINE | 40602 | LORIDINE
Max Phase 0
Trade Names
Molecular Formula C19H17N3O4S2

Additional synonyms for CHEMBL316157 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [O-]C(=O)C1=C(C[n+]2ccccc2)CS[C@@H]3[C@H](NC(=O)Cc4cccs4)C(= ...
Download SMILES
Standard InChI InChI=1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22 ...
Download InChI
Standard InChI Key CZTQZXZIADLWOZ-CRAIPNDOSA-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


CHEMBL316157

Molecule Features

CHEMBL316157 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov CEPHALORIDINE
The Cochrane Collaboration CEPHALORIDINE

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 CHEMBL316157. 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
CHEMBL2219 Protein-tyrosine phosphatase LC-PTP Homo sapiens 0.999
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.959
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.924
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.875
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.669
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.632
CHEMBL5514 Huntingtin Homo sapiens 0.626
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.548
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.444
CHEMBL3326 Beta-lactamase L1 Stenotrophomonas maltophilia 0.362



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.999
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.921
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.844
CHEMBL5514 Huntingtin Homo sapiens 0.658
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.654
CHEMBL1993 DNA (cytosine-5)-methyltransferase 1 Homo sapiens 0.510
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.421
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.347
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.306
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.265
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.217

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
415.5 415.066 -0.32 6 93.42 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.44 - -2.1 -1.5 2 28 0.52

Structural Alerts

There are 6 structural alerts for CHEMBL316157. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01D - OTHER BETA-LACTAM ANTIBACTERIALS
J01DB - First-generation cephalosporins
J01DB02 - cefaloridine

ChemSpider ChemSpider:CZTQZXZIADLWOZ-CRAIPNDOSA-N
PubChem SID: 144204921
Wikipedia Cephaloridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL316157



ACToR 50-59-9
Brenda 11118 591 17943
ChEBI 3537
DrugBank DB09008
DrugCentral 573
EPA CompTox Dashboard DTXSID9022782
FDA SRS LVZ1VC61HB
KEGG Ligand C11754
PubChem 5773
PubChem: Thomson Pharma 15254571
SureChEMBL SCHEMBL3936

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