TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 424.276 | Formula: C18H12Cl2FN3O2S
H donors: 2 H acceptors: 3 LogP: 6.35 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)C/C(=N\Nc1scc(n1)c1ccc(c(c1)Cl)Cl)/C(=O)O
InChi: 1S/C18H12Cl2FN3O2S/c19-13-6-3-11(8-14(13)20)16-9-27-18(22-16)24-23-15(17(25)26)7-10-1-4-12(21)5-2-10/h1-6,8-9H,7H2,(H,22,24)(H,25,26)/b23-15+
InChiKey: XYUINEQVOGRSLV-HZHRSRAPSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0278	0.6444	0.7292
Echinococcus granulosus	chromobox protein 1	0.0137	0.2723	0.2838
Trypanosoma cruzi	hypothetical protein, conserved	0.0413	1	1
Echinococcus granulosus	chromatin regulatory protein sir2	0.0364	0.8706	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0278	0.6444	0.6314
Trypanosoma cruzi	Silent information regulator 2 related protein 3	0.0115	0.2139	0.1852
Leishmania major	NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe	0.0115	0.2139	0.1852
Trichomonas vaginalis	chromobox protein, putative	0.0083	0.1283	0.1115
Brugia malayi	transcriptional regulator, Sir2 family protein	0.0081	0.1235	0.0637
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0083	0.1283	0.1031
Loa Loa (eye worm)	thioredoxin reductase	0.0094	0.1568	0.1095
Trichomonas vaginalis	CAMK family protein kinase	0.0278	0.6444	0.7292
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.0536	0.022
Brugia malayi	chromobox protein homolog 3	0.0077	0.1129	0.0504
Mycobacterium tuberculosis	Probable reductase	0.0213	0.4734	0.8745
Brugia malayi	transcriptional regulator, Sir2 family protein	0.0081	0.1235	0.0637
Toxoplasma gondii	thioredoxin reductase	0.0094	0.1568	0.3683
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0115	0.2139	0.2139
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0278	0.6444	0.7178
Giardia lamblia	Transcriptional regulator, Sir2 family	0.0115	0.2139	0.1209
Loa Loa (eye worm)	transcriptional regulator	0.0081	0.1235	0.068
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0115	0.2139	0.2139
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0115	0.2139	0.1209
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0364	0.8706	1
Trichomonas vaginalis	CAMK family protein kinase	0.0278	0.6444	0.7292
Echinococcus granulosus	NAD dependent deacetylase sirtuin 3	0.0364	0.8706	1
Echinococcus multilocularis	chromobox protein 1	0.0137	0.2723	0.2838
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0237	0.5363	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0077	0.1129	0.0763
Giardia lamblia	NAD-dependent histone deacetylase Sir2	0.0187	0.403	0.374
Trypanosoma brucei	Silent information regulator 2 related protein 1	0.0364	0.8706	0.8523
Brugia malayi	Thioredoxin reductase	0.0094	0.1568	0.1054
Brugia malayi	glutathione reductase	0.0094	0.1568	0.1054
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0278	0.6444	0.6972
Trypanosoma brucei	polo-like protein kinase	0.0278	0.6444	0.5943
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1891	0.1498
Plasmodium falciparum	thioredoxin reductase	0.0094	0.1568	0.3683
Schistosoma mansoni	chromatin regulatory protein sir2	0.0187	0.403	0.4139
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0081	0.1235	0.1057
Brugia malayi	NAD-dependent deacetylase SIRT1	0.0187	0.403	0.4139
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0727	0.0046
Leishmania major	sir2-family protein-like protein	0.0081	0.1235	0.0915
Trypanosoma brucei	Silent information regulator 2 related protein 3	0.0115	0.2139	0.1031
Echinococcus multilocularis	chromobox protein 1	0.0137	0.2723	0.2838
Loa Loa (eye worm)	glutathione reductase	0.0094	0.1568	0.1095
Echinococcus granulosus	NAD dependent deacetylase sirtuin 1	0.0187	0.403	0.4402
Plasmodium vivax	NAD-dependent deacetylase, putative	0.0115	0.2139	1
Schistosoma mansoni	chromatin regulatory protein sir2	0.0364	0.8706	1
Trichomonas vaginalis	chromobox protein, putative	0.0137	0.2723	0.2838
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0115	0.2139	0.2139
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 1	0.0187	0.403	0.4402
Echinococcus granulosus	NAD dependent deacetylase sirtuin 7	0.0081	0.1235	0.1057
Leishmania major	trypanothione reductase	0.0094	0.1568	0.126
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0278	0.6444	0.7292
Brugia malayi	Heterochromatin protein 1	0.0137	0.2723	0.2501
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0278	0.6444	0.6314
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0727	0.0046
Trichomonas vaginalis	conserved hypothetical protein	0.0077	0.1129	0.093
Schistosoma mansoni	chromatin regulatory protein sir2	0.0081	0.1235	0.0637
Giardia lamblia	Kinase, PLK	0.0278	0.6444	0.6972
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0187	0.403	0.4402
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0364	0.8706	1
Trichomonas vaginalis	CAMK family protein kinase	0.0278	0.6444	0.7292
Trypanosoma cruzi	Silent information regulator 2 related protein 3	0.0115	0.2139	0.1852
Schistosoma mansoni	chromatin regulatory protein sir2	0.0081	0.1235	0.0637
Mycobacterium tuberculosis	Probable oxidoreductase	0.0237	0.5363	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1129	0.0548
Echinococcus multilocularis	chromatin regulatory protein sir2	0.0364	0.8706	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0237	0.5363	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0213	0.4734	0.8745
Echinococcus granulosus	thioredoxin glutathione reductase	0.0094	0.1568	0.1455
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0278	0.6444	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0137	0.2723	0.2536
Brugia malayi	transcriptional regulator, Sir2 family protein	0.0364	0.8706	1
Trichomonas vaginalis	CAMK family protein kinase	0.0278	0.6444	0.7292
Toxoplasma gondii	histone deacetylase SIR2	0.0115	0.2139	1
Plasmodium vivax	thioredoxin reductase, putative	0.0094	0.1568	0.3683
Trichomonas vaginalis	CAMK family protein kinase	0.0278	0.6444	0.7292
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0081	0.1235	0.1057
Loa Loa (eye worm)	transcriptional regulator	0.0364	0.8706	1
Plasmodium vivax	glutathione reductase, putative	0.0094	0.1568	0.3683
Loa Loa (eye worm)	hypothetical protein	0.0187	0.403	0.4166
Trypanosoma cruzi	Silent information regulator 2 related protein 1	0.0364	0.8706	0.8658
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0187	0.403	0.4402
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0237	0.5363	1
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.0536	0.022
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0094	0.1568	0.1455
Schistosoma mansoni	chromobox protein	0.0137	0.2723	0.2501
Trichomonas vaginalis	CAMK family protein kinase	0.0138	0.2734	0.2851
Schistosoma mansoni	serine/threonine protein kinase	0.0278	0.6444	0.7165
Echinococcus granulosus	expressed protein	0.0361	0.862	0.9898
Trypanosoma cruzi	hypothetical protein, conserved	0.0413	1	1
Loa Loa (eye worm)	transcriptional regulator	0.0081	0.1235	0.068
Trypanosoma cruzi	Silent information regulator 2 related protein 1	0.0364	0.8706	0.8658
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 3	0.0364	0.8706	1
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0187	0.403	0.4402
Trichomonas vaginalis	conserved hypothetical protein	0.0077	0.1129	0.093
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0213	0.4734	0.8745
Loa Loa (eye worm)	sirtuin 4	0.0081	0.1235	0.068
Schistosoma mansoni	chromatin regulatory protein sir2	0.0364	0.8706	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0213	0.4734	0.8745
Plasmodium falciparum	transcriptional regulatory protein sir2a	0.0115	0.2139	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0278	0.6444	0.6314
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0213	0.4734	0.8745
Trypanosoma cruzi	trypanothione reductase, putative	0.0094	0.1568	0.126
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 7	0.0081	0.1235	0.1057
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 6	0.0081	0.1235	0.1057
Plasmodium falciparum	glutathione reductase	0.0094	0.1568	0.3683
Trichomonas vaginalis	CAMK family protein kinase	0.0278	0.6444	0.7292
Mycobacterium ulcerans	NAD-dependent deacetylase	0.0115	0.2139	1
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0364	0.8706	1
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0727	0.0046
Echinococcus granulosus	chromobox protein 1	0.0137	0.2723	0.2838
Trichomonas vaginalis	chromobox protein, putative	0.0083	0.1283	0.1115
Schistosoma mansoni	chromatin regulatory protein sir2	0.0115	0.2139	0.1769
Schistosoma mansoni	chromobox protein	0.0137	0.2723	0.2501
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0364	0.8706	1
Trichomonas vaginalis	chromobox protein, putative	0.0137	0.2723	0.2838
Leishmania major	silent information regulator 2, putative	0.0364	0.8706	0.8658
Trypanosoma brucei	hypothetical protein, conserved	0.0413	1	1
Mycobacterium ulcerans	Sir2-like regulatory protein	0.0081	0.1235	0.4943
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0187	0.403	0.4402
Trypanosoma brucei	trypanothione reductase	0.0094	0.1568	0.038
Giardia lamblia	Hypothetical protein	0.0364	0.8706	1
Brugia malayi	serine/threonine-protein kinase plk-2	0.0278	0.6444	0.7165
Echinococcus multilocularis	expressed protein	0.0361	0.862	0.9898
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0727	0.0449
Mycobacterium tuberculosis	Probable dehydrogenase	0.0213	0.4734	0.8745
Mycobacterium tuberculosis	Transcriptional regulatory protein	0.0115	0.2139	0.3565
Trichomonas vaginalis	CAMK family protein kinase	0.0138	0.2734	0.2851
Schistosoma mansoni	chromatin regulatory protein sir2	0.0364	0.8706	1
Echinococcus granulosus	NAD dependent deacetylase sirtuin 6	0.0081	0.1235	0.1057
Schistosoma mansoni	kinase	0.0141	0.2831	0.2637
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0094	0.1568	0.2426
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0727	0.0449
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0213	0.4734	0.8827
Trichomonas vaginalis	CAMK family protein kinase	0.0278	0.6444	0.7292

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)		Competitive binding affinity to human full length recombinant GST-tagged eIF4E expressed in Escherichia coli BL21(DE3) assessed as inhibition of eIF4E/eIF4G interaction by fluorescence polarization assay relative to parent compound	ChEMBL.	24675136

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: CHEMBL3310212

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 916715