TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 445.558 | Formula: C20H23N5O3S2
H donors: 2 H acceptors: 5 LogP: 2.23 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCn1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)C)nnc1CNc1ccccc1
InChi: 1S/C20H23N5O3S2/c1-3-25-18(13-21-15-7-5-4-6-8-15)23-24-20(25)29-14-19(26)22-16-9-11-17(12-10-16)30(2,27)28/h4-12,21H,3,13-14H2,1-2H3,(H,22,26)
InChiKey: CPHAXASSDXNLTO-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
Mus musculus	solute carrier family 27 (fatty acid transporter), member 1	Starlite/ChEMBL	References
Homo sapiens	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
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
Brugia malayi	AMP-binding enzyme family 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
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
Echinococcus multilocularis	long chain fatty acid transport protein 4	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
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
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
Leishmania infantum	fatty acid transporter protein-like 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
Schistosoma mansoni	FFA transport 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
Echinococcus granulosus	long chain fatty acid transport protein 4	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
Echinococcus multilocularis	cysteine protease	0.0216	0.5141	0.4176
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0216	0.5141	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0216	0.5141	1
Onchocerca volvulus		0.0216	0.5141	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0216	0.5141	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0143	0.2597	0.2697
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0216	0.5141	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0216	0.5141	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0216	0.5141	1
Loa Loa (eye worm)	hypothetical protein	0.0356	1	1
Echinococcus multilocularis	cathepsin b	0.0356	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0216	0.5141	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0216	0.5141	0.5141
Echinococcus granulosus	cathepsin l1	0.0216	0.5141	0.4176
Echinococcus multilocularis	cysteine protease	0.0216	0.5141	0.4176
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0216	0.5141	1
Brugia malayi	AMP-binding enzyme family protein	0.0231	0.5656	0.5656
Brugia malayi	cathepsin L-like precursor	0.0148	0.2766	0.2766
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0216	0.5141	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0216	0.5141	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0356	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0116	0.1657	0.1657
Loa Loa (eye worm)	hypothetical protein	0.0216	0.5141	0.5141
Loa Loa (eye worm)	cathepsin B	0.0143	0.2597	0.2597
Echinococcus granulosus	cathepsin b	0.0356	1	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0116	0.1657	0.1657
Entamoeba histolytica	cysteine proteinase, putative	0.0148	0.2766	0.3182
Echinococcus multilocularis	long chain fatty acid transport protein 4	0.0224	0.5404	0.4491
Brugia malayi	Cathepsin L-like precursor	0.0216	0.5141	0.5141
Brugia malayi	Cathepsin L-like precursor	0.0148	0.2766	0.2766
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0216	0.5141	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0216	0.5141	0.4176
Brugia malayi	Papain family cysteine protease containing protein	0.0116	0.1657	0.1657
Loa Loa (eye worm)	fibroinase	0.0216	0.5141	0.5141
Leishmania major	cathepsin L-like protease	0.0216	0.5141	0.9404
Brugia malayi	Papain family cysteine protease containing protein	0.0216	0.5141	0.5141
Leishmania major	cathepsin L-like protease	0.0216	0.5141	0.9404
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0216	0.5141	1
Leishmania major	fatty acid transporter protein-like protein	0.0221	0.5303	1
Plasmodium vivax	vivapain-1	0.0116	0.1657	0.3224
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0216	0.5141	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0216	0.5141	0.4176
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0216	0.5141	1
Onchocerca volvulus		0.0216	0.5141	1
Toxoplasma gondii	cathepsin CPL	0.0216	0.5141	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0216	0.5141	0.5141
Brugia malayi	Cathepsin L-like precursor	0.0216	0.5141	0.5141
Brugia malayi	Cathepsin L-like precursor	0.0216	0.5141	0.5141
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0216	0.5141	1
Onchocerca volvulus		0.0216	0.5141	1
Onchocerca volvulus		0.0216	0.5141	1
Onchocerca volvulus		0.0216	0.5141	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0216	0.5141	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0216	0.5141	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0216	0.5141	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0148	0.2766	0.3182
Echinococcus granulosus	cathepsin b	0.0356	1	1
Leishmania major	cathepsin L-like protease	0.0216	0.5141	0.9404
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0216	0.5141	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0216	0.5141	0.4176
Leishmania major	cathepsin L-like protease	0.0216	0.5141	0.9404
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0148	0.2766	0.2766
Plasmodium vivax	vivapain-2	0.0216	0.5141	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0116	0.1657	0.1657
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0216	0.5141	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0216	0.5141	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0148	0.2766	0.2766
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0216	0.5141	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0216	0.5141	0.5141
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0216	0.5141	0.5141
Plasmodium vivax	vivapain-2	0.0216	0.5141	1
Giardia lamblia	Cathepsin B precursor	0.0143	0.2597	0.5
Plasmodium vivax	vivapain-3	0.0116	0.1657	0.3224
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0216	0.5141	1
Leishmania major	cathepsin L-like protease	0.0216	0.5141	0.9404
Loa Loa (eye worm)	cysteine protease	0.0216	0.5141	0.5141
Echinococcus granulosus	cathepsin l1	0.0148	0.2766	0.1329
Mycobacterium leprae	possible long-chain acyl-CoA synthase	0.0221	0.5303	0.5
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0116	0.1657	0.1657
Loa Loa (eye worm)	hypothetical protein	0.0148	0.2766	0.2766
Schistosoma mansoni	cathepsin F (C01 family)	0.0148	0.2766	0.2766
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.0224	0.5404	0.5404
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0216	0.5141	1
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0231	0.5656	0.5656
Schistosoma mansoni	cathepsin F (C01 family)	0.0216	0.5141	0.5141
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0148	0.2766	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0216	0.5141	1
Trypanosoma cruzi	cysteine protease, putative	0.0116	0.1657	0.1657
Plasmodium vivax	unspecified product	0.0116	0.1657	0.3224
Leishmania major	cathepsin L-like protease	0.0216	0.5141	0.9404
Leishmania major	cathepsin L-like protease	0.0216	0.5141	0.9404
Leishmania major	cysteine peptidase A (CPA)	0.0216	0.5141	0.9404
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0216	0.5141	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0143	0.2597	0.2597
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.0224	0.5404	0.5404
Leishmania major	cathepsin L-like protease	0.0216	0.5141	0.9404
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0216	0.5141	1
Entamoeba histolytica	cysteine protease, putative	0.0216	0.5141	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0216	0.5141	1
Loa Loa (eye worm)	hypothetical protein	0.0148	0.2766	0.2766
Giardia lamblia	Cathepsin B precursor	0.0143	0.2597	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0216	0.5141	0.5141
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0216	0.5141	1
Giardia lamblia	Cathepsin B precursor	0.0143	0.2597	0.5
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0216	0.5141	0.4176
Brugia malayi	Cathepsin L-like precursor	0.0216	0.5141	0.5141
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0356	1	1
Brugia malayi	Cathepsin L-like precursor	0.0148	0.2766	0.2766
Trypanosoma cruzi	cysteine peptidase, putative	0.0216	0.5141	0.5141
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0216	0.5141	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0356	1	1
Loa Loa (eye worm)	ctsf protein	0.0216	0.5141	0.5141
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0143	0.2597	0.2597
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0143	0.2597	0.2697
Onchocerca volvulus	Cathepsin L homolog	0.0216	0.5141	1
Onchocerca volvulus	Cathepsin L homolog	0.0216	0.5141	1
Loa Loa (eye worm)	hypothetical protein	0.0148	0.2766	0.2766
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0231	0.5656	0.5
Onchocerca volvulus	Cathepsin F homolog	0.0216	0.5141	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0216	0.5141	0.5141
Onchocerca volvulus		0.0216	0.5141	1
Entamoeba histolytica	cysteine proteinase, putative	0.0216	0.5141	1
Echinococcus multilocularis	cathepsin b	0.0356	1	1
Onchocerca volvulus		0.0216	0.5141	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0216	0.5141	0.5141
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0356	1	1
Brugia malayi	Cathepsin L-like precursor	0.0216	0.5141	0.5141
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0216	0.5141	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0216	0.5141	1
Brugia malayi	Cathepsin L-like precursor	0.0216	0.5141	0.5141
Brugia malayi	Papain family cysteine protease containing protein	0.0116	0.1657	0.1657
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0216	0.5141	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0116	0.1657	0.1657
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0216	0.5141	1
Echinococcus granulosus	long chain fatty acid transport protein 4	0.0224	0.5404	0.4491
Schistosoma mansoni	FFA transport protein	0.0224	0.5404	0.5404
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0356	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0116	0.1657	0.1657
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0216	0.5141	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0216	0.5141	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0216	0.5141	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0216	0.5141	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0216	0.5141	0.4176
Trypanosoma cruzi	cysteine proteinase, putative	0.0116	0.1657	0.1657
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0216	0.5141	0.4176
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0221	0.5303	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0216	0.5141	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0216	0.5141	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 1 uM	Inhibition of human recombinant FATP1 acyl-coA synthetase activity using [14C]oleic acid as substrate	ChEMBL.	22749869
IC50 (binding)	> 10 uM	Inhibition of mouse recombinant FATP1 acyl-coA synthetase activity using [14C]oleic acid as substrate	ChEMBL.	22749869

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: CHEMBL2058087

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 1664012