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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1241590
CHEMBL1241590
Compound Name FLORFENICOL
ChEMBL Synonyms SCH 25298 | FLORFENICOL
Max Phase 0
Trade Names
Molecular Formula C12H14Cl2FNO4S

Additional synonyms for CHEMBL1241590 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl
Standard InChI InChI=1S/C12H14Cl2FNO4S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6- ...
Download InChI
Standard InChI Key AYIRNRDRBQJXIF-NXEZZACHSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1241590

Molecule Features

CHEMBL1241590 compound icon
Drug Type:Synthetic Small Molecule 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 FLORFENICOL
The Cochrane Collaboration FLORFENICOL

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 CHEMBL1241590. 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
CHEMBL4321 Cyclooxygenase-2 Mus musculus 0.999
CHEMBL230 Cyclooxygenase-2 Homo sapiens 0.995
CHEMBL2949 Cyclooxygenase-1 Ovis aries 0.986
CHEMBL4427 Prostanoid DP receptor Homo sapiens 0.974
CHEMBL221 Cyclooxygenase-1 Homo sapiens 0.963
CHEMBL3820 Hexokinase type IV Homo sapiens 0.838
CHEMBL291 Phosphodiesterase 4C Homo sapiens 0.373



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2949 Cyclooxygenase-1 Ovis aries 1.000
CHEMBL4321 Cyclooxygenase-2 Mus musculus 0.993
CHEMBL3820 Hexokinase type IV Homo sapiens 0.978
CHEMBL4427 Prostanoid DP receptor Homo sapiens 0.949
CHEMBL230 Cyclooxygenase-2 Homo sapiens 0.932
CHEMBL221 Cyclooxygenase-1 Homo sapiens 0.882
CHEMBL3882 Hexokinase type IV Rattus norvegicus 0.780
CHEMBL291 Phosphodiesterase 4C Homo sapiens 0.571
CHEMBL1784 Glucagon-like peptide 1 receptor Homo sapiens 0.515

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
358.2 357.0005 1.38 6 83.47 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.73 - 1.18 1.17 1 21 0.75

Structural Alerts

There are 9 structural alerts for CHEMBL1241590. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AYIRNRDRBQJXIF-NXEZZACHSA-N
PubChem SID: 144204234 SID: 170465648 SID: 56463547
Wikipedia Florfenicol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1241590



ACToR 73231-34-2
ChEBI 87185
ChemicalBook CB9195978
eMolecules 2724490
EPA CompTox Dashboard DTXSID9045500
FDA SRS 9J97307Y1H
IBM Patent System 9A21CAB81CB68C1995443780DB712BFF
LINCS LSM-5287
Mcule MCULE-5427563314
MolPort MolPort-003-847-382
Nikkaji J128.612I
PubChem 114811
PubChem: Drugs of the Future 12015270
PubChem: Thomson Pharma 14803299 14852355
SureChEMBL SCHEMBL49425
ZINC ZINC000000537733

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