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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL256997
CHEMBL256997
Compound Name ATALUREN
ChEMBL Synonyms ATALUREN | PTC124
Max Phase 4 (Approved)
Trade Names
Molecular Formula C15H9FN2O3

Additional synonyms for CHEMBL256997 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1cccc(c1)c2noc(n2)c3ccccc3F
Standard InChI InChI=1S/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9 ...
Download InChI
Standard InChI Key OOUGLTULBSNHNF-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL256997

Molecule Features

CHEMBL256997 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov ATALUREN
The Cochrane Collaboration ATALUREN

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 CHEMBL256997. 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
CHEMBL4333 Sphingosine 1-phosphate receptor Edg-1 Homo sapiens 1.000
CHEMBL3227 Metabotropic glutamate receptor 5 Homo sapiens 1.000
CHEMBL1293194 Carnitine O-palmitoyltransferase 1, liver isoform Homo sapiens 0.992
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.981
CHEMBL3858 Carnitine palmitoyltransferase 1A Rattus norvegicus 0.966
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.487



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4333 Sphingosine 1-phosphate receptor Edg-1 Homo sapiens 1.000
CHEMBL3227 Metabotropic glutamate receptor 5 Homo sapiens 1.000
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.991
CHEMBL1293194 Carnitine O-palmitoyltransferase 1, liver isoform Homo sapiens 0.981
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.978
CHEMBL3858 Carnitine palmitoyltransferase 1A Rattus norvegicus 0.977
CHEMBL5150 Luciferin 4-monooxygenase Photuris pennsylvanica 0.886
CHEMBL3892 Sphingosine 1-phosphate receptor Edg-3 Homo sapiens 0.878
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.368

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
284.2 284.0597 2.98 3 76.22 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.58 - 2.67 -.39 3 21 0.8

Structural Alerts

There are no structural alerts for CHEMBL256997

Compound Cross References

ATC M - MUSCULO-SKELETAL SYSTEM
M09 - OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
M09A - OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
M09AX - Other drugs for disorders of the musculo-skeletal system
M09AX03 - ataluren

ChemSpider ChemSpider:OOUGLTULBSNHNF-UHFFFAOYSA-N
PubChem SID: 144206184 SID: 170466862 SID: 85852879 SID: 87334013 SID: 99460885
Wikipedia Ataluren

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL256997



ACToR 775304-57-9
Brenda 101241
ChEBI 94805
DrugBank DB05016
DrugCentral 4872
eMolecules 24894298
EPA CompTox Dashboard DTXSID5046776
FDA SRS K16AME9I3V
Guide to Pharmacology 7341
IBM Patent System 815F12A4A68671EFE05A43B29389DAA3
LINCS LSM-5991
MolPort MolPort-006-170-046
Nikkaji J2.446.661B
PubChem 11219835
PubChem: Drugs of the Future 57304410
PubChem: Thomson Pharma 16302894
Selleck PTC124
SureChEMBL SCHEMBL60614
ZINC ZINC000013831791

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