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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL680
CHEMBL680
Compound Name CEFACLOR
ChEMBL Synonyms KEFTID | CECLOR CD | CECLOR | DISTACLOR MR | CEFACLOR | BACTICLOR MR | DISTACLOR | RANICLOR | COMPOUND 99638 | Cefaclor hydrate
Max Phase 4 (Approved)
Trade Names CECLOR CD | KEFTID | RANICLOR | CECLOR | DISTACLOR MR | CEFACLOR | DISTACLOR | BACTICLOR MR
Molecular Formula C15H14ClN3O4S

Additional synonyms for CHEMBL680 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)Cl)c3ccccc3
Standard InChI InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15( ...
Download InChI
Standard InChI Key QYIYFLOTGYLRGG-GPCCPHFNSA-N

Sources

  • 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


CHEMBL680

Molecule Features

CHEMBL680 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

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

Clinical Data

ClinicalTrials.gov CEFACLOR
The Cochrane Collaboration CEFACLOR

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 CHEMBL680. 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
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.895

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
367.8 367.0394 0.62 4 112.73 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.95 6.84 .14 -3.01 1 24 0.67

Structural Alerts

There are 4 structural alerts for CHEMBL680. 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
J01DC - Second-generation cephalosporins
J01DC04 - cefaclor

ChemSpider ChemSpider:QYIYFLOTGYLRGG-GPCCPHFNSA-N
DailyMed cefaclor
PubChem SID: 144204431 SID: 170464885 SID: 29215008 SID: 855765

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL680



ACToR 53994-73-3
BindingDB 42131
Brenda 88326 2601
ChEBI 3478
ChemicalBook CB9390436
DrugBank DB00833
DrugCentral 525
eMolecules 30157482 489446
EPA CompTox Dashboard DTXSID3022748
FDA SRS 3Z6FS3IK0K
Human Metabolome Database HMDB0014971
IBM Patent System A60F74560F1F17204008168EE2A0F663
KEGG Ligand C06877
LINCS LSM-5368
MolPort MolPort-003-666-328
NIH Clinical Collection SAM001246884
Nikkaji J3.196H
PubChem 51039 7048572
PubChem: Drugs of the Future 12013565
PubChem: Thomson Pharma 14803830 14852885
Selleck Cefaclor-(Ceclor)
SureChEMBL SCHEMBL33540
ZINC ZINC000003812869

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