Detailed information for compound 1767082

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 358.41 | Formula: C19H23FN4O2
  • H donors: 1 H acceptors: 2 LogP: 2.69 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)N1CCN(CC1)CC(=O)Nc1nc2c(o1)CCCC2
  • InChi: 1S/C19H23FN4O2/c20-14-5-7-15(8-6-14)24-11-9-23(10-12-24)13-18(25)22-19-21-16-3-1-2-4-17(16)26-19/h5-8H,1-4,9-13H2,(H,21,22,25)
  • InChiKey: NUZARGRTLLDKEI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens solute carrier family 27 (fatty acid transporter), member 1 Starlite/ChEMBL References
Mus musculus solute carrier family 27 (fatty acid transporter), member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis fatty acid transporter protein-like protein Get druggable targets OG5_127399 All targets in OG5_127399
Candida albicans similar to S. cerevisiae FAT1 (YBR041W) fatty acid transporter and very long-chain fatty acyl-CoA synthetase Get druggable targets OG5_127399 All targets in OG5_127399
Loa Loa (eye worm) AMP-binding enzyme family protein Get druggable targets OG5_127399 All targets in OG5_127399
Echinococcus granulosus long chain fatty acid transport protein 4 Get druggable targets OG5_127399 All targets in OG5_127399
Schistosoma japonicum ko:K08745 solute carrier family 27 (fatty acid transporter), member 1, putative Get druggable targets OG5_127399 All targets in OG5_127399
Echinococcus multilocularis long chain fatty acid transport protein 4 Get druggable targets OG5_127399 All targets in OG5_127399
Schistosoma japonicum Long-chain fatty acid transport protein 4, putative Get druggable targets OG5_127399 All targets in OG5_127399
Brugia malayi AMP-binding enzyme family protein Get druggable targets OG5_127399 All targets in OG5_127399
Schistosoma mansoni FFA transport protein Get druggable targets OG5_127399 All targets in OG5_127399
Mycobacterium leprae possible long-chain acyl-CoA synthase Get druggable targets OG5_127399 All targets in OG5_127399
Leishmania mexicana fatty acid transporter protein-like protein Get druggable targets OG5_127399 All targets in OG5_127399
Leishmania major fatty acid transporter protein-like protein Get druggable targets OG5_127399 All targets in OG5_127399
Trypanosoma cruzi fatty acid transporter protein-like, putative Get druggable targets OG5_127399 All targets in OG5_127399
Trypanosoma cruzi fatty acid transporter protein-like, putative Get druggable targets OG5_127399 All targets in OG5_127399
Mycobacterium ulcerans long-chain-acyl-CoA synthetase Get druggable targets OG5_127399 All targets in OG5_127399
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) Get druggable targets OG5_127399 All targets in OG5_127399
Candida albicans similar to S. cerevisiae FAT1 (YBR041W) fatty acid transporter and very long-chain fatty acyl-CoA synthetase Get druggable targets OG5_127399 All targets in OG5_127399
Leishmania infantum fatty acid transporter protein-like protein Get druggable targets OG5_127399 All targets in OG5_127399
Leishmania donovani fatty acid transporter protein-like protein Get druggable targets OG5_127399 All targets in OG5_127399
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) solute carrier family 27 (fatty acid transporter), member 1 646 aa 552 aa 22.8 %
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 solute carrier family 27 (fatty acid transporter), member 1 646 aa 519 aa 20.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0659 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0659 0.5 0.5
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0659 0.5 0.5
Plasmodium vivax RNA helicase-1, putative 0.0659 0.5 0.5
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0659 0.5 0.5
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0659 0.5 0.5
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0659 0.5 0.5
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0659 0.5 0.5
Echinococcus granulosus eukaryotic initiation factor 4A 0.0659 0.5 0.5
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0659 0.5 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.0659 0.5 0.5
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0659 0.5 0.5
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0659 0.5 0.5
Plasmodium falciparum eukaryotic initiation factor 4A 0.0659 0.5 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0659 0.5 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.0659 0.5 0.5
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0659 0.5 0.5
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0659 0.5 0.5
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0659 0.5 0.5
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0659 0.5 0.5
Treponema pallidum ATP-dependent RNA helicase 0.0659 0.5 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0659 0.5 0.5
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0659 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.18 uM Inhibition of human FLAG-tagged FATP1-mediated [1-14C] oleic acid conversion to [1-14C] oleoyl-CoA after 20 mins by scintillation counting analysis ChEMBL. 23528296
IC50 (binding) = 5.4 uM Inhibition of mouse FLAG-tagged FATP1-mediated [1-14C] oleic acid conversion to [1-14C] oleoyl-CoA after 20 mins by scintillation counting analysis ChEMBL. 23528296
Stabilty (ADMET) = 53 % Metabolic stability in mouse liver microsomes assessed as compound remaining after 0.5 hr ChEMBL. 23528296

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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