TDR Targets

Basic information

Technical information

TDR Targets ID: 434336
Name: 2-chloro-1-(sulfamoylamino)-4-[4-(trifluorome thyl)phenyl]benzene
MW: 350.744 | Formula: C13H10ClF3N2O2S
H donors: 2 H acceptors: 2 LogP: 3.35 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cc(ccc1NS(=O)(=O)N)c1ccc(cc1)C(F)(F)F
InChi: 1S/C13H10ClF3N2O2S/c14-11-7-9(3-6-12(11)19-22(18,20)21)8-1-4-10(5-2-8)13(15,16)17/h1-7,19H,(H2,18,20,21)
InChiKey: DPQVQYANLPNWMQ-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
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
Brugia malayi	Kinesin motor domain containing protein	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
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
Toxoplasma gondii	kinesin motor domain-containing protein	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
Echinococcus multilocularis	kinesin family 1	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
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
Plasmodium vivax	kinesin-5	Get druggable targets OG5_128460	All targets in OG5_128460
Giardia lamblia	Kinesin-5	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
Cryptosporidium hominis	kinesin-like boursin	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

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
Schistosoma mansoni	hypothetical protein	0.0215	0.3179	0.3179
Entamoeba histolytica	cell division protein kinase 2, putative	0.0045	0.0547	0.4261
Echinococcus granulosus	twitchin	0.0013	0.0049	0.0049
Echinococcus granulosus	hypothetical protein	0.0062	0.0802	0.0802
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0093	0.1285	0.5658
Schistosoma mansoni	nephrin	0.0012	0.0027	0.0027
Echinococcus multilocularis	insulin receptor	0.0211	0.3115	0.3115
Echinococcus multilocularis	epidermal growth factor receptor	0.0353	0.5318	0.5318
Echinococcus multilocularis	kinesin family 1	0.0247	0.3677	0.3677
Echinococcus granulosus	dual specificity	0.0093	0.1285	0.1285
Schistosoma mansoni	tyrosine kinase	0.0211	0.3115	0.3115
Giardia lamblia	Kinase, CMGC CDK	0.0045	0.0547	0.4272
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0087	0.006
Entamoeba histolytica	kinesin, putative	0.0032	0.0341	0.2653
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0656	1	1
Echinococcus granulosus	epidermal growth factor receptor	0.0353	0.5318	0.5318
Schistosoma mansoni	serine/threonine protein kinase	0.0063	0.0824	0.0824
Echinococcus multilocularis	epidermal growth factor receptor	0.0656	1	1
Plasmodium vivax	kinesin-5	0.0032	0.0341	0.4133
Schistosoma mansoni	vesicular amine transporter	0.0012	0.0027	0.0027
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0032	0.0341	0.0315
Trypanosoma cruzi	cdc2-related kinase 3	0.0045	0.0547	0.2411
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0353	0.5318	0.5318
Schistosoma mansoni	cyclin-dependent kinase 5 activator	0.0264	0.3935	0.3935
Entamoeba histolytica	protein kinase, putative	0.0093	0.1285	1
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	0.043	0.6505	0.6505
Echinococcus granulosus	fructose 16 bisphosphatase 1	0.0157	0.227	0.227
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0045	0.0547	0.0522
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0063	0.0824	0.3631
Trypanosoma cruzi	cdc2-related kinase 1	0.0045	0.0547	0.2411
Echinococcus multilocularis	dual specificity protein kinase clk2	0.0063	0.0824	0.0824
Echinococcus multilocularis	cyclin dependent kinase	0.0045	0.0547	0.0547
Schistosoma mansoni	fructose-16-bisphosphatase-related	0.0157	0.227	0.227
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.0157	0.227	1
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0211	0.3115	0.3115
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0045	0.0547	0.0522
Schistosoma mansoni	tyrosine kinase	0.0656	1	1
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0093	0.1285	0.1261
Toxoplasma gondii	kinesin motor domain-containing protein	0.0032	0.0341	0.1501
Loa Loa (eye worm)	fructose-1,6-bisphosphatase	0.0157	0.227	0.2249
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0525	0.05
Toxoplasma gondii	fructose-bisphospatase I	0.0058	0.0745	0.3283
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0093	0.1285	0.5658
Schistosoma mansoni	serine/threonine protein kinase	0.0045	0.0547	0.0547
Loa Loa (eye worm)	CMGC/CLK protein kinase	0.0063	0.0824	0.0799
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0802	0.0777
Trypanosoma brucei	kinetoplastid kinetochore protein 10	0.0063	0.0824	0.3631
Schistosoma mansoni	kinesin eg-5	0.0032	0.0341	0.0341
Schistosoma mansoni	cell adhesion molecule	0.0016	0.0087	0.0087
Trypanosoma cruzi	cdc2-related kinase 3	0.0045	0.0547	0.2411
Brugia malayi	Kinesin motor domain containing protein	0.0032	0.0341	0.0315
Toxoplasma gondii	fructose-bisphospatase II	0.0157	0.227	1
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0016	0.0087	0.0087
Echinococcus granulosus	Immunoglobulin	0.0012	0.0027	0.0027
Schistosoma mansoni	tyrosine kinase	0.0353	0.5318	0.5318
Echinococcus granulosus	neuroglian	0.0012	0.0027	0.0027
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0022	0.0184	0.0157
Schistosoma mansoni	serine/threonine protein kinase	0.0063	0.0824	0.0824
Echinococcus granulosus	dual specificity protein kinase clk2	0.0063	0.0824	0.0824
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0063	0.0824	0.3631
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1262	0.1239
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0063	0.0824	0.3631
Entamoeba histolytica	hypothetical protein	0.0093	0.1285	1
Loa Loa (eye worm)	TK/INSR protein kinase	0.0211	0.3115	0.3096
Trypanosoma brucei	kinetoplastid kinetochore protein 19	0.0063	0.0824	0.3631
Echinococcus granulosus	kinesin family 1	0.0247	0.3677	0.3677
Brugia malayi	Protein kinase domain containing protein	0.0093	0.1285	0.1261
Giardia lamblia	Kinase, CMGC CLK	0.0063	0.0824	1
Echinococcus granulosus	epidermal growth factor receptor	0.0656	1	1
Leishmania major	protein kinase, putative	0.0063	0.0824	0.3631
Leishmania major		0.0157	0.227	1
Echinococcus granulosus	insulin receptor	0.0211	0.3115	0.3115
Brugia malayi	Protein kinase domain containing protein	0.0211	0.3115	0.3096
Loa Loa (eye worm)	hypothetical protein	0.0126	0.1802	0.178
Echinococcus multilocularis	neuroglian	0.0012	0.0027	0.0027
Plasmodium vivax	serine/threonine kinase-1, putative	0.0063	0.0824	1
Brugia malayi	hypothetical protein	0.0126	0.1802	0.178
Echinococcus granulosus	defective proboscis extension response	0.0012	0.0027	0.0027
Trypanosoma cruzi	cdc2-related kinase 1	0.0045	0.0547	0.2411
Trypanosoma brucei	sedoheptulose-1,7-bisphosphatase	0.0058	0.0745	0.3283
Echinococcus multilocularis	cyclin dependent kinase 1	0.0045	0.0547	0.0547
Brugia malayi	Protein kinase domain containing protein	0.0045	0.0547	0.0522
Echinococcus multilocularis	cyclin dependent kinase 5 activator 1	0.0264	0.3935	0.3935
Schistosoma mansoni	tyrosine kinase	0.0353	0.5318	0.5318
Brugia malayi	cell division control protein 2 homolog	0.0045	0.0547	0.0522
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.001	0	0.5
Echinococcus multilocularis	dual specificity	0.0093	0.1285	0.1285
Trypanosoma cruzi	sedoheptulose-1,7-bisphosphatase, putative	0.0058	0.0745	0.3283
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.0157	0.227	1
Trypanosoma brucei	cdc2-related kinase 1	0.0045	0.0547	0.2411
Echinococcus multilocularis	Immunoglobulin	0.0012	0.0027	0.0027
Entamoeba histolytica	protein kinase, putative	0.0093	0.1285	1
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0063	0.0824	0.3631
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.1285	0.1285
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.001	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0093	0.1285	1
Brugia malayi	Protein kinase domain containing protein	0.0063	0.0824	0.0799
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0012	0.0027	0.0027
Echinococcus granulosus	cyclin dependent kinase 5 activator 1	0.0264	0.3935	0.3935
Plasmodium falciparum	protein kinase 5	0.0045	0.0547	0.664
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0093	0.1285	0.5658
Schistosoma mansoni	serine/threonine protein kinase	0.0045	0.0547	0.0547
Echinococcus multilocularis		0.0202	0.2974	0.2974
Echinococcus multilocularis	cyclin dependent kinase 5	0.0045	0.0547	0.0547
Trypanosoma brucei	fructose-1,6-bisphosphatase	0.0157	0.227	1
Plasmodium falciparum	protein serine/threonine kinase-1	0.0063	0.0824	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0087	0.006
Echinococcus multilocularis	Immunoglobulin	0.0012	0.0027	0.0027
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0012	0.0027	0.0027
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0045	0.0547	0.2411
Leishmania major	protein kinase, putative	0.0063	0.0824	0.3631
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.001	0	0.5
Echinococcus granulosus	cyclin dependent kinase 1	0.0045	0.0547	0.0547
Toxoplasma gondii	cell-cycle-associated protein kinase CLK, putative	0.0063	0.0824	0.3631
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1262	0.1239
Echinococcus granulosus	cyclin dependent kinase 5	0.0045	0.0547	0.0547
Echinococcus multilocularis	fructose 1,6 bisphosphatase 1	0.0157	0.227	0.227
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0211	0.3115	0.3115
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0045	0.0547	0.2411
Loa Loa (eye worm)	hypothetical protein	0.0264	0.3935	0.3919
Echinococcus multilocularis	roundabout 2	0.0016	0.0087	0.0087
Plasmodium vivax	protein kinase Crk2	0.0045	0.0547	0.664
Trypanosoma cruzi	sedoheptulose-1,7-bisphosphatase, putative	0.0058	0.0745	0.3283
Schistosoma mansoni	tyrosine kinase	0.0347	0.5222	0.5222
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0045	0.0547	0.0522
Echinococcus multilocularis	cyclin dependent kinase 1	0.0045	0.0547	0.0547
Trichomonas vaginalis	CMGC family protein kinase	0.0063	0.0824	1
Entamoeba histolytica	cell division protein kinase 2, putative	0.0045	0.0547	0.4261
Toxoplasma gondii	sedoheptulose-1,7-bisphosphatase	0.0058	0.0745	0.3283
Schistosoma mansoni	tyrosine kinase	0.0347	0.5222	0.5222
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0087	0.006
Trypanosoma brucei	cdc2-related kinase 3	0.0045	0.0547	0.2411
Loa Loa (eye worm)	hypothetical protein	0.0126	0.1802	0.178
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0045	0.0547	0.0547
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0045	0.0547	0.2411
Schistosoma mansoni	tyrosine kinase	0.0347	0.5222	0.5222
Echinococcus granulosus	roundabout 2	0.0016	0.0087	0.0087
Plasmodium falciparum	kinesin-5	0.0032	0.0341	0.4133
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0012	0.0027	0.0027
Brugia malayi	fructose-1,6-bisphosphatase	0.0157	0.227	0.2249
Echinococcus granulosus	cyclin dependent kinase	0.0045	0.0547	0.0547
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0022	0.0184	0.0157
Giardia lamblia	Kinase, CMGC CDK	0.0045	0.0547	0.4272
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0093	0.1285	0.5658
Echinococcus multilocularis		0.0062	0.0802	0.0802
Schistosoma mansoni	tyrosine kinase	0.0211	0.3115	0.3115

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 67 nM	Inhibition of human KSP motor domain by ATPase assay	ChEMBL.	17725339
IC50 (binding)	= 67 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: 11428074

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 434336