TDR Targets

Basic information

Technical information

TDR Targets ID: 434282
Name: [4-[4-(trifluoromethyl)phenyl]phenyl]methanes ulfonamide
MW: 315.311 | Formula: C14H12F3NO2S
H donors: 1 H acceptors: 2 LogP: 2.93 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: NS(=O)(=O)Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F
InChi: 1S/C14H12F3NO2S/c15-14(16,17)13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-21(18,19)20/h1-8H,9H2,(H2,18,19,20)
InChiKey: HCLDSBXOHDDBRK-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	kinesin family member 11	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	kinesin family 1	Get druggable targets OG5_128460	All targets in OG5_128460
Schistosoma japonicum	ko:K10398 kinesin family member 11, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Cryptosporidium parvum	kinesin-like boursin, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Toxoplasma gondii	kinesin motor domain-containing protein	Get druggable targets OG5_128460	All targets in OG5_128460
Neospora caninum	hypothetical protein	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium knowlesi	kinesin-5, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium berghei	kinesin-5, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Brugia malayi	Kinesin motor domain containing protein	Get druggable targets OG5_128460	All targets in OG5_128460
Candida albicans	kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein	Get druggable targets OG5_128460	All targets in OG5_128460
Echinococcus granulosus	kinesin family 1	Get druggable targets OG5_128460	All targets in OG5_128460
Cryptosporidium hominis	kinesin-like boursin	Get druggable targets OG5_128460	All targets in OG5_128460
Entamoeba histolytica	kinesin, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Candida albicans	kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium falciparum	kinesin-5	Get druggable targets OG5_128460	All targets in OG5_128460
Loa Loa (eye worm)	kinesin-like protein KLP2	Get druggable targets OG5_128460	All targets in OG5_128460
Giardia lamblia	Kinesin-5	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium vivax	kinesin-5	Get druggable targets OG5_128460	All targets in OG5_128460
Schistosoma mansoni	kinesin eg-5	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium yoelii	Kinesin motor domain, putative	Get druggable targets OG5_128460	All targets in OG5_128460

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
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0346	0.0385
Echinococcus granulosus	kinesin family 1	0.0247	0.4436	1
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0032	0.0347	0.0763
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0032	0.0347	0.9659
Echinococcus multilocularis	isocitrate dehydrogenase	0.0032	0.0347	0.0325
Entamoeba histolytica	hypothetical protein	0.0073	0.1121	0.6076
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.1653	0.1842
Schistosoma mansoni	kinase	0.005	0.0695	0.1343
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1653	0.1842
Brugia malayi	Smad1	0.0025	0.021	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0346	0.0385
Plasmodium vivax	kinesin-5	0.0032	0.0351	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0032	0.0347	0.9659
Loa Loa (eye worm)	hypothetical protein	0.0189	0.333	0.371
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0128	0.2171	0.2419
Schistosoma mansoni	serine/threonine protein kinase	0.0099	0.1619	0.3897
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0032	0.0347	0.0325
Schistosoma mansoni	transcription factor LCR-F1	0.0073	0.1121	0.2521
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0032	0.0347	0.0325
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0032	0.0347	0.9659
Brugia malayi	hypothetical protein	0.0026	0.0242	0.0269
Brugia malayi	MH1 domain containing protein	0.0025	0.021	0.0234
Toxoplasma gondii	kinesin motor domain-containing protein	0.0032	0.0351	1
Brugia malayi	RNA recognition motif domain containing protein	0.0128	0.2171	0.2419
Loa Loa (eye worm)	MH2 domain-containing protein	0.0025	0.021	0.0234
Mycobacterium ulcerans	short chain dehydrogenase	0.0541	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0099	0.1619	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0242	0.0269
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0073	0.1121	0.2157
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.2171	0.5425
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0099	0.1619	0.3334
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.2171	0.5425
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0032	0.0347	0.0386
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.2171	0.5425
Giardia lamblia	Kinase, PLK	0.0099	0.1619	1
Mycobacterium leprae	PROBABLE CONSERVED LIPOPROTEIN LPQF	0.0067	0.1007	0.5
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0099	0.1619	1
Brugia malayi	Isocitrate dehydrogenase	0.0032	0.0347	0.0386
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.1048	0.1168
Loa Loa (eye worm)	Smad1	0.0025	0.021	0.0234
Trichomonas vaginalis	CAMK family protein kinase	0.0099	0.1619	1
Brugia malayi	TAR-binding protein	0.0128	0.2171	0.2419
Trichomonas vaginalis	CAMK family protein kinase	0.0099	0.1619	1
Echinococcus granulosus	tar DNA binding protein	0.0128	0.2171	0.4642
Trypanosoma brucei	beta lactamase	0.0067	0.1007	0.5558
Echinococcus multilocularis	kinesin family 1	0.0247	0.4436	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0346	0.0377
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqF	0.0067	0.1007	0.0684
Schistosoma mansoni	hypothetical protein	0.0215	0.3826	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0073	0.1121	0.2157
Plasmodium falciparum	kinesin-5	0.0032	0.0351	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0099	0.1619	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1048	0.1168
Brugia malayi	hypothetical protein	0.0073	0.1121	0.1249
Toxoplasma gondii	isocitrate dehydrogenase	0.0032	0.0347	0.9659
Loa Loa (eye worm)	transcription factor SMAD2	0.0363	0.6625	0.7381
Loa Loa (eye worm)	MH1 domain-containing protein	0.0025	0.021	0.0234
Schistosoma mansoni	hypothetical protein	0.0032	0.0346	0.0377
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.1653	0.1842
Schistosoma mansoni	hypothetical protein	0.0032	0.0346	0.0377
Brugia malayi	MH1 domain containing protein	0.0025	0.021	0.0234
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0032	0.0347	0.0325
Entamoeba histolytica	hypothetical protein	0.0073	0.1121	0.6076
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0099	0.1619	0.3334
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0032	0.0347	0.0325
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.2171	0.5425
Brugia malayi	MH2 domain containing protein	0.0363	0.6625	0.7381
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0099	0.1619	0.1804
Mycobacterium ulcerans	class a beta-lactamase, BlaC	0.0139	0.2379	0.1526
Echinococcus granulosus	GPCR family 2	0.0032	0.0346	0.0322
Trichomonas vaginalis	CAMK family protein kinase	0.0099	0.1619	1
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0032	0.0347	0.0763
Onchocerca volvulus		0.0306	0.5539	0.5328
Loa Loa (eye worm)	RNA binding protein	0.0128	0.2171	0.2419
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0032	0.0347	0.0763
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0346	0.0385
Mycobacterium tuberculosis	Class a beta-lactamase BlaC	0.0139	0.2379	0.2105
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0032	0.0347	0.0379
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0099	0.1619	1
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0346	0.0322
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0032	0.0347	0.0763
Loa Loa (eye worm)	TAR-binding protein	0.0128	0.2171	0.2419
Trichomonas vaginalis	CAMK family protein kinase	0.0099	0.1619	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0032	0.0347	0.0325
Echinococcus multilocularis	tar DNA binding protein	0.0128	0.2171	0.4642
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0346	0.0385
Entamoeba histolytica	hypothetical protein	0.0073	0.1121	0.6076
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0032	0.0351	0.0391
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0346	0.0322
Trypanosoma cruzi	polo-like protein kinase, putative	0.0099	0.1619	1
Schistosoma mansoni	kinesin eg-5	0.0032	0.0351	0.039
Brugia malayi	Pax transcription factor protein 2	0.0487	0.8976	1
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.2171	0.5425
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.1653	0.1842
Brugia malayi	Kinesin motor domain containing protein	0.0032	0.0351	0.0391
Brugia malayi	isocitrate dehydrogenase	0.0032	0.0347	0.0386
Trichomonas vaginalis	CAMK family protein kinase	0.0099	0.1619	1
Trypanosoma brucei	polo-like protein kinase	0.0099	0.1619	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0363	0.6625	0.7381
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0032	0.0347	0.0763
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0346	0.0322
Brugia malayi	serine/threonine-protein kinase plk-2	0.0099	0.1619	0.1804
Schistosoma mansoni	hypothetical protein	0.0069	0.1048	0.2319
Trichomonas vaginalis	CAMK family protein kinase	0.0099	0.1619	1
Brugia malayi	MH2 domain containing protein	0.0025	0.021	0.0234
Brugia malayi	hypothetical protein	0.0306	0.5539	0.6171
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0346	0.0322
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0189	0.333	0.2326
Brugia malayi	hypothetical protein	0.0017	0.0064	0.0071
Brugia malayi	RNA binding protein	0.0128	0.2171	0.2419
Brugia malayi	N-terminal motif family protein	0.0189	0.333	0.371
Schistosoma mansoni	hypothetical protein	0.0032	0.0346	0.0377
Loa Loa (eye worm)	pax transcription factor protein 2	0.0487	0.8976	1
Schistosoma mansoni	hypothetical protein	0.0073	0.1121	0.2521
Loa Loa (eye worm)	hypothetical protein	0.0306	0.5539	0.6171
Entamoeba histolytica	hypothetical protein	0.0073	0.1121	0.6076
Onchocerca volvulus		0.0487	0.8976	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0346	0.0322
Brugia malayi	MH2 domain containing protein	0.0025	0.021	0.0234

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 118 nM	Inhibition of human KSP motor domain by ATPase assay	ChEMBL.	17725339
IC50 (binding)	= 118 nM	Inhibition of human KSP motor domain by ATPase assay	ChEMBL.	17725339

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

PubChem: 23626137

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 434282