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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1236282
CHEMBL1236282
Compound Name THIAMPHENICOL
ChEMBL Synonyms THIAMPHENICOL AMINOACETATE HYDROCHLORIDE | WIN 5063-2 | Thiophenicol | THIOCYMETIN | THIAMPHENICOL | Dextrosulphenidol
Max Phase 1
Trade Names
Molecular Formula C12H15Cl2NO5S

Additional synonyms for CHEMBL1236282 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl
Standard InChI InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-1 ...
Download InChI
Standard InChI Key OTVAEFIXJLOWRX-NXEZZACHSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1236282

Molecule Features

CHEMBL1236282 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 THIAMPHENICOL
The Cochrane Collaboration THIAMPHENICOL

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 CHEMBL1236282. 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
CHEMBL230 Cyclooxygenase-2 Homo sapiens 0.999
CHEMBL4321 Cyclooxygenase-2 Mus musculus 0.997
CHEMBL2949 Cyclooxygenase-1 Ovis aries 0.988
CHEMBL221 Cyclooxygenase-1 Homo sapiens 0.913
CHEMBL3820 Hexokinase type IV Homo sapiens 0.852
CHEMBL291 Phosphodiesterase 4C Homo sapiens 0.215



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2949 Cyclooxygenase-1 Ovis aries 1.000
CHEMBL230 Cyclooxygenase-2 Homo sapiens 0.984
CHEMBL4321 Cyclooxygenase-2 Mus musculus 0.954
CHEMBL3820 Hexokinase type IV Homo sapiens 0.945
CHEMBL221 Cyclooxygenase-1 Homo sapiens 0.907
CHEMBL1784 Glucagon-like peptide 1 receptor Homo sapiens 0.419
CHEMBL3882 Hexokinase type IV Rattus norvegicus 0.385
CHEMBL291 Phosphodiesterase 4C Homo sapiens 0.229

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
356.2 355.0048 0.4 6 103.7 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.05 - -.27 -.27 1 21 0.64

Structural Alerts

There are 8 structural alerts for CHEMBL1236282. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01B - AMPHENICOLS
J01BA - Amphenicols
J01BA52 - thiamphenicol, combinations

J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01B - AMPHENICOLS
J01BA - Amphenicols
J01BA02 - thiamphenicol

ChemSpider ChemSpider:OTVAEFIXJLOWRX-NXEZZACHSA-N
PubChem SID: 144204128 SID: 144208014 SID: 170465845 SID: 56320856
Wikipedia Thiamphenicol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1236282



ACToR 15318-45-3 14786-51-7
BindingDB 58925
ChEBI 32215
ChemicalBook CB0102588
DrugBank DB08621
DrugCentral 2624
eMolecules 532242
EPA CompTox Dashboard DTXSID5021338
FDA SRS FLQ7571NPM
IBM Patent System 2464891A7862527BC67CB1E6757B981F
KEGG Ligand C12853
LINCS LSM-5858
MolPort MolPort-003-666-809
Nikkaji J9.286J
PDBe TH8
PubChem 27200
PubChem: Thomson Pharma 14876529 14901130
Selleck thiamphenicol-thiophenicol
SureChEMBL SCHEMBL34635
ZINC ZINC000000538440

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