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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1242629
CHEMBL1242629
Compound Name TECOVIRIMAT
ChEMBL Synonyms TECOVIRIMAT | SIGA-246 | ST-246
Max Phase 3
Trade Names
Molecular Formula C19H15F3N2O3

Additional synonyms for CHEMBL1242629 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)c1ccc(cc1)C(=O)NN2C(=O)[C@@H]3C4C=CC([C@H]5C[C@@H]45 ...
Download SMILES
Standard InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)9-3-1-8(2-4-9)16(25)23-24 ...
Download InChI
Standard InChI Key CSKDFZIMJXRJGH-KUAIZNHUSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1242629

Molecule Features

CHEMBL1242629 compound icon
Drug Type:Synthetic Small Molecule 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

ClinicalTrials.gov TECOVIRIMAT
The Cochrane Collaboration TECOVIRIMAT

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 CHEMBL1242629. 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.


10uM


ChEMBL_ID Target Name Organism Score
CHEMBL6079 Proto-oncogene protein Wnt-3 Homo sapiens 0.982

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
376.3 376.1035 2.02 3 66.48 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.56 - 1 27 0.65

Structural Alerts

There are 7 structural alerts for CHEMBL1242629. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CSKDFZIMJXRJGH-KUAIZNHUSA-N
Wikipedia Tecovirimat

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1242629



ACToR 869572-92-9
PubChem 11485687
PubChem: Thomson Pharma 16587299
SureChEMBL SCHEMBL14601849

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