TDR Targets

Basic information

Technical information

TDR Targets ID: 1570234
Name: 3-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(4-su lfamoylphenyl)ethyl]-1,2,4-oxadiazole-5-carbo xamide
MW: 484.934 | Formula: C18H17ClN4O6S2
H donors: 2 H acceptors: 7 LogP: 1.67 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)S(=O)(=O)Cc1noc(n1)C(=O)NCCc1ccc(cc1)S(=O)(=O)N
InChi: 1S/C18H17ClN4O6S2/c19-13-3-7-14(8-4-13)30(25,26)11-16-22-18(29-23-16)17(24)21-10-9-12-1-5-15(6-2-12)31(20,27)28/h1-8H,9-11H2,(H,21,24)(H2,20,27,28)
InChiKey: OADDACVVPCUHCO-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

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 multilocularis	multidrug resistance protein 1	0.0011	0.0569	1
Plasmodium vivax	serine/threonine protein kinase KIN, putative	0.0009	0.0443	0.0443
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0011	0.0569	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	G protein-coupled receptor kinase, putative	0.0009	0.0443	0.7795
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0443	0.7795
Giardia lamblia	Kinase, CAMK CAMKL	0.0009	0.0443	1
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0009	0.0443	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0011	0.0569	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	ABC transporter, putative	0.0011	0.0569	1
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0009	0.0417	0.733
Loa Loa (eye worm)	haspin protein kinase	0.0009	0.0417	0.733
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Loa Loa (eye worm)	haspin protein kinase	0.0009	0.0417	0.733
Mycobacterium ulcerans	drugs-transport transmembrane ATP-binding protein ABC transporter	0.0003	0	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Brugia malayi	Cell division protein kinase 2	0.0009	0.0443	0.7795
Trichomonas vaginalis	abcb9, putative	0.0011	0.0569	1
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0003	0	0.5
Schistosoma mansoni	protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0011	0.0569	1
Echinococcus granulosus	multidrug resistance protein 1	0.0007	0.0319	0.5606
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0011	0.0569	1
Schistosoma mansoni	serine/threonine protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	CMGC family protein kinase	0.0009	0.0443	0.7795
Brugia malayi	cyclin-dependent kinase 7 homolog	0.0009	0.0443	0.7795
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0011	0.0569	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	serine/threonine kinase, putative	0.0009	0.0443	0.7795
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0011	0.0569	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0011	0.0569	1
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0009	0.0417	0.733
Trichomonas vaginalis	CMGC family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0011	0.0569	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0007	0.0319	0.5606
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0003	0	0.5
Echinococcus granulosus	serine:threonine protein kinase NLK	0.0009	0.0443	0.7795
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0011	0.0569	0.061
Loa Loa (eye worm)	hypothetical protein	0.001	0.056	0.9841
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0003	0	0.5
Brugia malayi	hypothetical protein	0.0009	0.0417	0.733
Giardia lamblia	Kinase, CAMK CAMKL	0.0009	0.0443	1
Mycobacterium ulcerans	component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD	0.0003	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.0009	0.0443	0.7795
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0003	0	0.5
Entamoeba histolytica	cell division protein kinase 2, putative	0.0009	0.0443	0.7795
Echinococcus multilocularis	cyclin dependent kinase 9	0.0009	0.0443	0.7795
Echinococcus granulosus	multidrug resistance protein 1	0.0011	0.0569	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0443	0.7795
Schistosoma mansoni	serine/threonine kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0011	0.0569	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.0009	0.0443	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0011	0.0569	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0011	0.0569	1
Brugia malayi	GSG2	0.0009	0.0417	0.733
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0011	0.0569	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Echinococcus granulosus	multidrug resistance protein 1	0.0011	0.0569	1
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0011	0.0569	0.061
Echinococcus granulosus	Pfam-B_8186 domain containing protein	0.0009	0.0417	0.733
Schistosoma mansoni	multidrug resistance protein	0.0011	0.0569	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0011	0.0569	1
Onchocerca volvulus		0.0011	0.0569	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0569	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Entamoeba histolytica	protein kinase domain containing protein	0.0009	0.0443	0.7795
Echinococcus multilocularis	hypothetical protein	0.0009	0.0417	0.733
Echinococcus multilocularis	multidrug resistance protein 1	0.0007	0.0319	0.5606
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0011	0.0569	1
Giardia lamblia	Kinase, CAMK CAMKL	0.0009	0.0443	1
Entamoeba histolytica	P-glycoprotein 5, putative	0.0011	0.0569	1
Leishmania major	mitogen-activated protein kinase, putative,map kinase-like protein	0.0009	0.0443	0.7795
Leishmania major	serine/threonine kinase-like protein, putative	0.0009	0.0443	0.7795
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0011	0.0569	1
Echinococcus multilocularis	serine:threonine protein kinase NLK	0.0009	0.0443	0.7795
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Echinococcus granulosus	cyclin dependent kinase 9	0.0009	0.0443	0.7795
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0009	0.0417	0.733
Echinococcus multilocularis	ATP binding cassette sub family B	0.001	0.056	0.9841
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0011	0.0569	0.5
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0011	0.0569	1
Plasmodium falciparum	multidrug resistance protein 1	0.0011	0.0569	0.0569
Entamoeba histolytica	P-glycoprotein-1	0.0011	0.0569	1
Entamoeba histolytica	P-glyco protein 6, putative	0.0011	0.0569	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0011	0.0569	1
Echinococcus granulosus	mitogen activated protein kinase 15	0.0009	0.0443	0.7795
Brugia malayi	ABC transporter family protein	0.0011	0.0569	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.0131	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0011	0.0569	1
Trichomonas vaginalis	taga, putative	0.0011	0.0569	1
Echinococcus granulosus	multidrug resistance protein 1	0.0011	0.0569	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0011	0.0569	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Entamoeba histolytica	P-glycoprotein-2	0.0011	0.0569	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0011	0.0569	1
Brugia malayi	multidrug resistance protein 3	0.0011	0.0569	1
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0011	0.0569	1
Leishmania major	p-glycoprotein	0.0011	0.0569	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Plasmodium vivax	multidrug resistance protein 1, putative	0.0011	0.0569	0.0569
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Echinococcus granulosus	multidrug resistance protein 1	0.0007	0.0319	0.5606
Entamoeba histolytica	hypothetical protein	0.0009	0.0417	0.733
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0011	0.0569	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0011	0.0569	1
Echinococcus multilocularis	Cell division cycle 2 protein kinase	0.0009	0.0443	0.7795
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0009	0.0417	0.733
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Schistosoma mansoni	smdr2	0.0011	0.0569	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Echinococcus granulosus	Cell division cycle 2 protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0443	0.7795
Loa Loa (eye worm)	CMGC/CDK/CRK7 protein kinase	0.0009	0.0443	0.7795
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.001	0.056	0.9841
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0003	0	0.5
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0011	0.0569	1
Loa Loa (eye worm)	multidrug resistance protein 3	0.0011	0.0569	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	CMGC family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0011	0.0569	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0011	0.0569	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	abcb9, putative	0.0011	0.0569	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0011	0.0569	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0011	0.0569	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0569	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0003	0	0.5
Trypanosoma brucei	protein kinase, putative	0.0009	0.0443	1
Schistosoma mansoni	multidrug resistance protein	0.0011	0.0569	1
Trichomonas vaginalis	ABC transporter, putative	0.0011	0.0569	1
Trichomonas vaginalis	ABC transporter, putative	0.0011	0.0569	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0011	0.0569	1
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0443	0.7795
Entamoeba histolytica	P-glycoprotein-2, putative	0.0011	0.0569	1
Schistosoma mansoni	hypothetical protein	0.0009	0.0417	0.733
Loa Loa (eye worm)	haspin protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	abcb9, putative	0.0011	0.0569	1
Trypanosoma brucei	Mitogen-activated protein kinase 10, putative	0.0009	0.0443	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0011	0.0569	1
Toxoplasma gondii	cell-cycle-associated protein kinase, putative	0.0122	0.9324	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0011	0.0569	1
Schistosoma mansoni	multidrug resistance protein	0.0011	0.0569	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0009	0.0443	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	CMGC family protein kinase	0.0009	0.0443	0.7795
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0003	0	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0011	0.0569	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0011	0.0569	1
Entamoeba histolytica	P-glycoprotein-5	0.0011	0.0569	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0009	0.0417	0.733
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0011	0.0569	1
Trichomonas vaginalis	ABC transporter, putative	0.0011	0.0569	1
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0011	0.0569	1
Trichomonas vaginalis	protein kinase atmrk1, putative	0.0009	0.0443	0.7795
Trichomonas vaginalis	CAMK family protein kinase	0.0009	0.0443	0.7795
Schistosoma mansoni	hypothetical protein	0.0009	0.0417	0.733
Entamoeba histolytica	P-glycoprotein-2	0.0011	0.0569	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.4716 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	5.2213 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1897168

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1570234