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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1308252
CHEMBL1308252
Compound Name FTAXILIDE
ChEMBL Synonyms FTAXILIDE
Max Phase 0
Trade Names
Molecular Formula C16H15NO3

Additional synonyms for CHEMBL1308252 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(C)c1NC(=O)c2ccccc2C(=O)O
Standard InChI InChI=1S/C16H15NO3/c1-10-6-5-7-11(2)14(10)17-15(18)12-8-3-4- ...
Download InChI
Standard InChI Key LLECMGGNFBKPRH-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1308252

Molecule Features

CHEMBL1308252 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov FTAXILIDE
The Cochrane Collaboration FTAXILIDE

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 CHEMBL1308252. 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
CHEMBL2568 Liver glycogen phosphorylase Homo sapiens 1.000
CHEMBL1966 Dihydroorotate dehydrogenase Homo sapiens 0.996
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 0.995
CHEMBL5387 Sonic hedgehog protein Mus musculus 0.987
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.944
CHEMBL1836 Prostanoid EP4 receptor Homo sapiens 0.917
CHEMBL3766 Vasopressin V2 receptor Rattus norvegicus 0.821
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.807
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.671
CHEMBL5514 Huntingtin Homo sapiens 0.664
CHEMBL1790 Vasopressin V2 receptor Homo sapiens 0.567
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.490
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.478
CHEMBL2392 DNA polymerase beta Homo sapiens 0.473
CHEMBL3948 Angiotensin II type 1a (AT-1a) receptor Oryctolagus cuniculus 0.365
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.308
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.291
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.212



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2568 Liver glycogen phosphorylase Homo sapiens 1.000
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 0.983
CHEMBL1966 Dihydroorotate dehydrogenase Homo sapiens 0.966
CHEMBL1293316 Relaxin receptor 1 Homo sapiens 0.946
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.931
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.908
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.852
CHEMBL4860 Apoptosis regulator Bcl-2 Homo sapiens 0.697
CHEMBL5387 Sonic hedgehog protein Mus musculus 0.627
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.598
CHEMBL1293299 Histone-lysine N-methyltransferase MLL Homo sapiens 0.524
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.507
CHEMBL1836 Prostanoid EP4 receptor Homo sapiens 0.440
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.411
CHEMBL2392 DNA polymerase beta Homo sapiens 0.364
CHEMBL5514 Huntingtin Homo sapiens 0.358
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.287

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
269.3 269.1052 3.25 3 66.4 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.45 - 1.95 -1.15 2 20 0.9

Structural Alerts

There are no structural alerts for CHEMBL1308252

Compound Cross References

ChemSpider ChemSpider:LLECMGGNFBKPRH-UHFFFAOYSA-N
PubChem SID: 144205539 SID: 170466077 SID: 50086441

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1308252



ACToR 19368-18-4
eMolecules 1067168
EPA CompTox Dashboard DTXSID5046300
FDA SRS 7Z71845H3F
IBM Patent System DA395EC0D67BAFE5E1DBD897D5A8090B
Mcule MCULE-5351780489
MolPort MolPort-001-020-620
Nikkaji J60.504B
PubChem 71895
PubChem: Drugs of the Future 22395545
PubChem: Thomson Pharma 15466652
SureChEMBL SCHEMBL1170617
ZINC ZINC000000001490

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