TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 270.306 | Formula: C14H10N2O2S
H donors: 1 H acceptors: 2 LogP: 2.73 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(cc1)/C=N/n1sc2c(c1=O)cccc2
InChi: 1S/C14H10N2O2S/c17-11-7-5-10(6-8-11)9-15-16-14(18)12-3-1-2-4-13(12)19-16/h1-9,17H/b15-9+
InChiKey: CJPXXAOZZDULLB-OQLLNIDSSA-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
Mycobacterium ulcerans	glutaminase	0.0286	0.5036	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0388	0.6875	0.6864
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0212	0.369	0.367
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0212	0.369	0.367
Schistosoma mansoni	tar DNA-binding protein	0.0388	0.6875	1
Schistosoma mansoni	cpg binding protein	0.0032	0.0445	0.0647
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0067	0.1074	0.1562
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0026	0.0331	0.0482
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0067	0.1074	0.1562
Schistosoma mansoni	tar DNA-binding protein	0.0388	0.6875	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0065	0.103	0.1498
Schistosoma mansoni	glutaminase	0.0286	0.5036	0.7325
Brugia malayi	Latrophilin receptor protein 2	0.0067	0.1074	0.1046
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0142	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0432	0.04
Schistosoma mansoni	hypothetical protein	0.0067	0.1074	0.1562
Toxoplasma gondii	t-complex protein beta subunit	0.0026	0.0331	0.0192
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.026	0.4564	0.4545
Trypanosoma cruzi	T-complex protein 1, beta subunit, putative	0.0026	0.0331	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0499	0.0725
Loa Loa (eye worm)	hypothetical protein	0.0212	0.369	0.3669
Schistosoma mansoni	hypothetical protein	0.0145	0.2479	0.3606
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0015	0.0142	0.0109
Plasmodium falciparum	T-complex protein 1 subunit beta	0.0026	0.0331	0.0192
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.026	0.4564	0.4545
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0034	0.0049
Brugia malayi	Thyroglobulin type-1 repeat family protein	0.0031	0.0432	0.0402
Brugia malayi	isocitrate dehydrogenase	0.0015	0.0142	0.0111
Plasmodium vivax	T-complex protein 1 subunit beta, putative	0.0026	0.0331	0.0192
Onchocerca volvulus		0.0031	0.0432	0.008
Onchocerca volvulus		0.0031	0.0432	0.008
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0067	0.1074	0.1562
Loa Loa (eye worm)	RNA binding protein	0.0388	0.6875	0.6864
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0499	0.0725
Loa Loa (eye worm)	glutaminase 2	0.0286	0.5036	0.5019
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0026	0.0331	0.0482
Brugia malayi	hypothetical protein	0.0035	0.0499	0.0469
Schistosoma mansoni	tar DNA-binding protein	0.0388	0.6875	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0142	0.0207
Echinococcus granulosus	cpg binding protein	0.0032	0.0445	0.0647
Schistosoma mansoni	tar DNA-binding protein	0.0388	0.6875	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0212	0.369	0.3669
Schistosoma mansoni	hypothetical protein	0.0067	0.1074	0.1562
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0015	0.0142	0.0207
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0026	0.0331	0.0482
Brugia malayi	Thyroglobulin type-1 repeat family protein	0.0031	0.0432	0.0402
Schistosoma mansoni	hypothetical protein	0.0035	0.0499	0.0725
Loa Loa (eye worm)	glutaminase	0.0286	0.5036	0.5019
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0432	0.04
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0413	0.0381
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0058	0.0905	0.0774
Entamoeba histolytica	hypothetical protein	0.0035	0.0499	0.0173
Brugia malayi	Isocitrate dehydrogenase	0.0015	0.0142	0.0111
Trypanosoma brucei	T-complex protein 1, beta subunit, putative	0.0026	0.0331	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0432	0.04
Onchocerca volvulus		0.0031	0.0432	0.008
Loa Loa (eye worm)	TAR-binding protein	0.0388	0.6875	0.6864
Schistosoma mansoni	hypothetical protein	0.0171	0.2963	0.431
Echinococcus granulosus	GPCR family 2	0.0067	0.1074	0.1562
Loa Loa (eye worm)	thyroglobulin type-1 repeat family protein	0.0031	0.0432	0.04
Entamoeba histolytica	hypothetical protein	0.0035	0.0499	0.0173
Echinococcus multilocularis	cpg binding protein	0.0032	0.0445	0.0647
Echinococcus multilocularis	isocitrate dehydrogenase	0.0015	0.0142	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0067	0.1074	0.1044
Brugia malayi	latrophilin 2 splice variant baaae	0.0145	0.2479	0.2455
Brugia malayi	TAR-binding protein	0.0388	0.6875	0.6865
Schistosoma mansoni	tar DNA-binding protein	0.0388	0.6875	1
Echinococcus multilocularis	geminin	0.0171	0.2963	0.431
Brugia malayi	secreted modular calcium-binding protein 1	0.0031	0.0432	0.0402
Loa Loa (eye worm)	hypothetical protein	0.016	0.2757	0.2733
Entamoeba histolytica	hypothetical protein	0.0035	0.0499	0.0173
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0067	0.1074	0.1044
Brugia malayi	RNA recognition motif domain containing protein	0.0388	0.6875	0.6865
Brugia malayi	T-complex protein 1, beta subunit	0.0026	0.0331	0.0301
Brugia malayi	T-complex protein 1, beta subunit	0.0026	0.0331	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0145	0.2479	0.2454
Echinococcus multilocularis	GPCR, family 2	0.0067	0.1074	0.1562
Echinococcus granulosus	chaperonin containing TCP1 subunit 2 beta	0.0026	0.0331	0.0482
Loa Loa (eye worm)	T-complex protein 1	0.0026	0.0331	0.0299
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0067	0.1074	0.1562
Brugia malayi	glutaminase DH11.1	0.0286	0.5036	0.502
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0142	0.0207
Entamoeba histolytica	hypothetical protein	0.0035	0.0499	0.0173
Schistosoma mansoni	hypothetical protein	0.0067	0.1074	0.1562
Echinococcus granulosus	geminin	0.0171	0.2963	0.431
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0432	0.04
Brugia malayi	RNA binding protein	0.0388	0.6875	0.6865
Schistosoma mansoni	hypothetical protein	0.0067	0.1074	0.1562
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0034	0.0049
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0015	0.0142	0.0207
Schistosoma mansoni	cpg binding protein	0.003	0.0413	0.0601
Onchocerca volvulus		0.016	0.2757	1
Trichomonas vaginalis	glutaminase, putative	0.0286	0.5036	0.4866
Brugia malayi	CXXC zinc finger family protein	0.003	0.0413	0.0383
Echinococcus granulosus	tar DNA binding protein	0.0388	0.6875	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0499	0.0725
Brugia malayi	hypothetical protein	0.016	0.2757	0.2735
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0015	0.0142	0.0207
Echinococcus multilocularis	chaperonin containing TCP1, subunit 2 (beta)	0.0026	0.0331	0.0482
Schistosoma mansoni	cpg binding protein	0.0032	0.0445	0.0647
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0067	0.1074	0.1046
Brugia malayi	Thyroglobulin type-1 repeat family protein	0.0031	0.0432	0.0402
Echinococcus multilocularis	tar DNA binding protein	0.0388	0.6875	1
Leishmania major	T-complex protein 1, beta subunit, putative	0.0026	0.0331	0.0192
Schistosoma mansoni	hypothetical protein	0.0171	0.2963	0.431
Onchocerca volvulus		0.0031	0.0432	0.008
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0015	0.0142	0.5
Loa Loa (eye worm)	thyroglobulin type-1 repeat family protein	0.0031	0.0432	0.04

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (ADMET)	= 18 uM	Cytotoxicity against mock-infected human MT4 cells after 4 days by MTT assay	ChEMBL.	18614259

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: CHEMBL506596

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 1180092