TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 605.513 | Formula: C26H22Cl2N4O5S2
H donors: 1 H acceptors: 5 LogP: 4.1 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: N#Cc1c(NC(=O)c2cc(c(cc2Cl)Cl)S(=O)(=O)N2CCOCC2)sc2c1CCN(C2)C(=O)c1ccccc1
InChi: 1S/C26H22Cl2N4O5S2/c27-20-13-21(28)23(39(35,36)32-8-10-37-11-9-32)12-18(20)24(33)30-25-19(14-29)17-6-7-31(15-22(17)38-25)26(34)16-4-2-1-3-5-16/h1-5,12-13H,6-11,15H2,(H,30,33)
InChiKey: JNUQIIXSWFVNQQ-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	rho associated protein kinase	0.0332	0.2559	0.3081
Schistosoma mansoni	serine/threonine protein kinase	0.0141	0.0405	0.0487
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0122	0.0189	0.0227
Echinococcus multilocularis	cyclin dependent kinase 1	0.0112	0.007	0.0084
Echinococcus multilocularis		0.0129	0.0262	0.0315
Trypanosoma cruzi	cdc2-related kinase 3	0.0112	0.007	0.0084
Schistosoma mansoni	serine/threonine protein kinase	0.0382	0.3128	0.3765
Plasmodium falciparum	protein kinase 5	0.0112	0.007	0.0084
Entamoeba histolytica	protein kinase, putative	0.0122	0.0189	0.0227
Schistosoma mansoni	serine/threonine protein kinase	0.0361	0.289	0.3479
Echinococcus multilocularis	cyclin dependent kinase	0.0112	0.007	0.0084
Echinococcus granulosus	CDC7 cell division cycle 7	0.0141	0.0405	0.0487
Echinococcus multilocularis		0.0148	0.0484	0.0583
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0112	0.007	0.007
Schistosoma mansoni	serine/threonine protein kinase	0.0149	0.049	0.059
Giardia lamblia	Kinase, CMGC CDK	0.0112	0.007	0.0084
Loa Loa (eye worm)	CMGC/CLK protein kinase	0.0149	0.049	0.049
Leishmania major	protein kinase, putative	0.0149	0.049	0.059
Schistosoma mansoni	serine/threonine protein kinase	0.0149	0.049	0.059
Trypanosoma cruzi	casein kinase II, putative	0.0839	0.8307	1
Entamoeba histolytica	cell division protein kinase 2, putative	0.0112	0.007	0.0084
Schistosoma mansoni	serine/threonine protein kinase	0.0112	0.007	0.0084
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0112	0.007	0.0084
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.0989	1	1
Plasmodium vivax	serine/threonine kinase-1, putative	0.0149	0.049	0.059
Plasmodium falciparum	casein kinase 2, alpha subunit	0.0839	0.8307	1
Trichomonas vaginalis	CMGC family protein kinase	0.0839	0.8307	1
Onchocerca volvulus		0.0332	0.2559	0.2581
Plasmodium falciparum	protein serine/threonine kinase-1	0.0149	0.049	0.059
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0361	0.289	0.3479
Trypanosoma brucei	kinetoplastid kinetochore protein 10	0.0149	0.049	0.059
Entamoeba histolytica	casein kinase, putative	0.0839	0.8307	1
Schistosoma mansoni	protein kinase	0.0202	0.1093	0.1316
Trichomonas vaginalis	CMGC family protein kinase	0.0839	0.8307	1
Echinococcus granulosus	protein kinase	0.0148	0.0484	0.0583
Echinococcus granulosus	serine:threonine protein kinase mig 15	0.0182	0.0865	0.1041
Entamoeba histolytica	protein kinase domain containing protein	0.0382	0.3128	0.3765
Trichomonas vaginalis	CMGC family protein kinase	0.0839	0.8307	1
Plasmodium vivax	protein kinase Crk2	0.0112	0.007	0.0084
Trichomonas vaginalis	CMGC family protein kinase	0.0839	0.8307	1
Trichomonas vaginalis	CMGC family protein kinase	0.0839	0.8307	1
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0122	0.0189	0.0189
Echinococcus granulosus	cyclin dependent kinase	0.0112	0.007	0.0084
Trichomonas vaginalis	CMGC family protein kinase	0.0149	0.049	0.059
Loa Loa (eye worm)	CDC7 protein kinase	0.0141	0.0405	0.0405
Trichomonas vaginalis	CMGC family protein kinase	0.0112	0.007	0.0084
Trypanosoma brucei	cdc2-related kinase 3	0.0112	0.007	0.0084
Giardia lamblia	Kinase, CMGC CK2	0.0839	0.8307	1
Echinococcus granulosus	dual specificity protein kinase clk2	0.0149	0.049	0.059
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0122	0.0189	0.0227
Schistosoma mansoni	protein kinase	0.0839	0.8307	1
Trichomonas vaginalis	CMGC family protein kinase	0.0122	0.0189	0.0227
Echinococcus granulosus	cyclin dependent kinase 1	0.0112	0.007	0.0084
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0112	0.007	0.0084
Leishmania major	casein kinase II, putative	0.0839	0.8307	1
Echinococcus multilocularis	casein kinase ii subunit alpha	0.0839	0.8307	1
Leishmania major	protein kinase, putative	0.0149	0.049	0.059
Onchocerca volvulus		0.0933	0.9372	1
Brugia malayi	Casein kinase II, alpha chain	0.0839	0.8307	0.8307
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0112	0.007	0.0084
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0122	0.0189	0.0189
Echinococcus multilocularis	homeodomain interacting protein kinase 3	0.0382	0.3128	0.3765
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0149	0.049	0.059
Onchocerca volvulus		0.0311	0.2331	0.2333
Echinococcus multilocularis	protein kinase shaggy	0.0122	0.0189	0.0227
Brugia malayi	Protein kinase domain containing protein	0.0361	0.289	0.289
Entamoeba histolytica	protein kinase domain containing protein	0.0839	0.8307	1
Loa Loa (eye worm)	CAMK/CAMKL/PASK protein kinase	0.0933	0.9372	0.9372
Trichomonas vaginalis	CMGC family protein kinase	0.0122	0.0189	0.0227
Echinococcus granulosus	casein kinase ii subunit alpha	0.0839	0.8307	1
Brugia malayi	probable protein kinase	0.0202	0.1093	0.1093
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0361	0.289	0.3479
Trypanosoma brucei	kinetoplastid kinetochore protein 19	0.0149	0.049	0.059
Plasmodium falciparum	glycogen synthase kinase 3	0.0122	0.0189	0.0227
Onchocerca volvulus		0.0141	0.0405	0.0235
Toxoplasma gondii	cell-cycle-associated protein kinase CLK, putative	0.0149	0.049	0.059
Trypanosoma cruzi	cdc2-related kinase 1	0.0112	0.007	0.0084
Toxoplasma gondii	CMGC kinase, CK2 family	0.0839	0.8307	1
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0122	0.0189	0.0227
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0122	0.0189	0.0227
Echinococcus multilocularis	CDC7 cell division cycle 7	0.0141	0.0405	0.0487
Echinococcus multilocularis	dual specificity protein kinase clk2	0.0149	0.049	0.059
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0361	0.289	0.289
Echinococcus multilocularis	cyclin dependent kinase 5	0.0112	0.007	0.0084
Entamoeba histolytica	cell division protein kinase 2, putative	0.0112	0.007	0.0084
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0122	0.0189	0.0227
Brugia malayi	Homeodomain interacting protein kinase protein 1	0.0382	0.3128	0.3128
Plasmodium vivax	unspecified product	0.0839	0.8307	1
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0122	0.0189	0.0227
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.0839	0.8307	1
Trichomonas vaginalis	CMGC family protein kinase	0.0112	0.007	0.0084
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0122	0.0189	0.0227
Echinococcus granulosus	rho-associated protein kinase 1	0.0332	0.2559	0.3081
Loa Loa (eye worm)	hypothetical protein	0.0129	0.0262	0.0262
Trypanosoma brucei	cdc2-related kinase 1	0.0112	0.007	0.0084
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0361	0.289	0.289
Echinococcus multilocularis	cyclin dependent kinase 1	0.0112	0.007	0.0084
Trichomonas vaginalis	CMGC family protein kinase	0.0112	0.007	0.0084
Echinococcus granulosus	homeodomain interacting protein kinase 3	0.0382	0.3128	0.3765
Trichomonas vaginalis	CMGC family protein kinase	0.0141	0.0405	0.0487
Echinococcus granulosus	hypothetical protein	0.0129	0.0262	0.0315
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0149	0.049	0.059
Trypanosoma cruzi	cdc2-related kinase 3	0.0112	0.007	0.0084
Trypanosoma brucei	STE group serine/threonine-protein kinase, putative	0.0112	0.0075	0.009
Giardia lamblia	Kinase, CMGC GSK	0.0122	0.0189	0.0227
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.0839	0.8307	0.8307
Echinococcus granulosus	cyclin dependent kinase 5	0.0112	0.007	0.0084
Echinococcus granulosus	protein kinase shaggy	0.0122	0.0189	0.0227
Trypanosoma brucei	protein kinase, putative	0.0122	0.0189	0.0227
Brugia malayi	Protein kinase domain containing protein	0.0141	0.0405	0.0405
Schistosoma mansoni	serine/threonine protein kinase	0.0332	0.2559	0.3081
Onchocerca volvulus		0.0141	0.0405	0.0235
Brugia malayi	cell division control protein 2 homolog	0.0112	0.007	0.007
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0112	0.007	0.007
Giardia lamblia	Kinase, CDC7	0.0141	0.0405	0.0487
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0361	0.289	0.2941
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0865	0.0865
Brugia malayi	Protein kinase domain containing protein	0.0149	0.049	0.049
Loa Loa (eye worm)	STE/STE20/MSN protein kinase	0.0148	0.0484	0.0484
Trichomonas vaginalis	CMGC family protein kinase	0.0839	0.8307	1
Entamoeba histolytica	protein kinase domain containing protein	0.0122	0.0189	0.0227
Brugia malayi	intracellular kinase	0.0122	0.0189	0.0189
Trypanosoma brucei	Casein kinase II	0.0839	0.8307	1
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0149	0.049	0.059
Schistosoma mansoni	serine/threonine protein kinase	0.0112	0.007	0.0084
Trichomonas vaginalis	CMGC family protein kinase	0.0839	0.8307	1
Trypanosoma cruzi	cdc2-related kinase 1	0.0112	0.007	0.0084
Giardia lamblia	Kinase, CMGC CLK	0.0149	0.049	0.059
Loa Loa (eye worm)	CMGC/DYRK/HIPK protein kinase	0.0382	0.3128	0.3128
Brugia malayi	Protein kinase domain containing protein	0.0112	0.007	0.007
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0149	0.049	0.059
Trichomonas vaginalis	CMGC family protein kinase	0.0141	0.0405	0.0487
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0112	0.007	0.0084
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0112	0.007	0.007
Schistosoma mansoni	protein kinase	0.0148	0.0484	0.0583
Giardia lamblia	Kinase, CMGC GSK	0.0122	0.0189	0.0227
Giardia lamblia	Kinase, CMGC CDK	0.0112	0.007	0.0084
Trichomonas vaginalis	CMGC family protein kinase	0.0141	0.0405	0.0487
Entamoeba histolytica	protein kinase domain containing protein	0.0122	0.0189	0.0227
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0361	0.289	0.289

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		Antimicrobial activity against Escherichia coli 1411 by broth microdilution method	ChEMBL.	23786712
Activity (functional)		Antimicrobial activity against Escherichia coli AB734 by broth microdilution method	ChEMBL.	23786712

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: CHEMBL2408278

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 1769621