TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 374.476 | Formula: C19H23FN4OS
H donors: 1 H acceptors: 2 LogP: 3.3 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cccc(c1)N1CCN(CC1)CC(=O)Nc1nc2c(s1)CCCC2
InChi: 1S/C19H23FN4OS/c20-14-4-3-5-15(12-14)24-10-8-23(9-11-24)13-18(25)22-19-21-16-6-1-2-7-17(16)26-19/h3-5,12H,1-2,6-11,13H2,(H,21,22,25)
InChiKey: ZYBZLFCYXIBFJZ-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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
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
Echinococcus granulosus	long chain fatty acid transport protein 4	Get druggable targets OG5_127399	All targets in OG5_127399
Leishmania braziliensis	fatty acid transporter protein-like protein	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
Leishmania major	fatty acid transporter protein-like protein	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
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
Schistosoma japonicum	Long-chain fatty acid transport protein 4, 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
Echinococcus multilocularis	long chain fatty acid transport protein 4	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
Leishmania donovani	fatty acid transporter protein-like protein	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
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	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
Brugia malayi	AMP-binding enzyme family 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
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

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0231	1	1
Leishmania major	fatty acid transporter protein-like protein	0.0221	0.954	1
Brugia malayi	AMP-binding enzyme family protein	0.001	0.001	0.001
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.0224	0.9672	1
Echinococcus granulosus	long chain fatty acid transport protein 4	0.0224	0.9672	1
Mycobacterium leprae	possible long-chain acyl-CoA synthase	0.0221	0.954	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.001	0.001	1
Trichomonas vaginalis	antibiotic synthetase, putative	0.001	0.001	1
Schistosoma mansoni	acetyl-CoA synthetase	0.001	0.001	0.001
Giardia lamblia	Kinase	0.001	0	0.5
Leishmania major	acetyl-CoA synthetase, putative	0.001	0.001	0.001
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.001	0.001	0.001
Brugia malayi	AMP-binding enzyme family protein	0.001	0.001	0.001
Schistosoma mansoni	FFA transport protein	0.0224	0.9672	1
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.001	0.001	0.001
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.001	0.001	1
Giardia lamblia	Protein 21.1	0.001	0	0.5
Onchocerca volvulus		0.001	0.001	1
Brugia malayi	AMP-binding enzyme family protein	0.001	0.001	0.001
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.001	0.001	0.001
Loa Loa (eye worm)	hypothetical protein	0.001	0.001	0.001
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.001	0.001	0.001
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.001	0.001	0.001
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.001	0.001	0.001
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.001	0.001	0.001
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0231	1	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.001	0.001
Onchocerca volvulus		0.001	0.001	1
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.001	0.001	0.001
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.001	0.001	1
Echinococcus multilocularis	long chain fatty acid transport protein 4	0.0224	0.9672	1
Leishmania major	4-coumarate:coa ligase-like protein	0.001	0.001	0.001
Loa Loa (eye worm)	hypothetical protein	0.001	0.001	0.001
Onchocerca volvulus		0.001	0.001	1
Leishmania major	4-coumarate:coa ligase-like protein	0.001	0.001	0.001
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.001	0.001	0.001
Leishmania major	4-coumarate:coa ligase-like protein	0.001	0.001	0.001
Loa Loa (eye worm)	oxidoreductase	0.001	0.001	0.001
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.001	0.001	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.001	0.001
Brugia malayi	AMP-binding enzyme family protein	0.001	0.001	0.001
Leishmania major	acetyl-CoA synthetase, putative	0.001	0.001	0.001
Loa Loa (eye worm)	hypothetical protein	0.001	0.001	0.001
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0221	0.954	1
Giardia lamblia	Kinase, NEK	0.001	0	0.5
Brugia malayi	AMP-binding enzyme family protein	0.001	0.001	0.001
Plasmodium vivax	acetyl-CoA synthetase, putative	0.001	0.001	1
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.001	0.001	1
Giardia lamblia	Kinase, NEK	0.001	0	0.5
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.0224	0.9672	1
Onchocerca volvulus		0.001	0.001	1
Onchocerca volvulus		0.001	0.001	1
Trichomonas vaginalis	antibiotic synthetase, putative	0.001	0.001	1
Toxoplasma gondii	propionate-CoA ligase	0.001	0.001	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.001	0.001	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.001	0.001	1
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.001	0.001	0.001
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.001	0.001	1
Brugia malayi	AMP-binding enzyme family protein	0.001	0.001	0.001
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.001	0.001	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 1 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)	> 10 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

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

ChEMBL: CHEMBL2377759

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1767077