TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 244.681 | Formula: C7H7ClN5OS-
H donors: 2 H acceptors: 2 LogP: 0.96 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: NC(=N)Nc1nnc(s1)c1ccco1.[Cl-]
InChi: 1S/C7H7N5OS.ClH/c8-6(9)10-7-12-11-5(14-7)4-2-1-3-13-4;/h1-3H,(H4,8,9,10,12);1H/p-1
InChiKey: XXPPFFSLWREYRA-UHFFFAOYSA-M

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
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0031	0.0459
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0031	0.0029
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0261	0.0773
Brugia malayi	hypothetical protein	0.014	0.0561	0.9104
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0003	0.0008
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0067	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0003	0.0008
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0002	0.0002
Entamoeba histolytica	recQ family DNA helicase	0.0011	0.0002	0.0281
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0049	0.0756
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0003	0.0008
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0022	0.0049	0.7317
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0003	0.0001
Brugia malayi	Muscleblind-like protein	0.0153	0.0616	1
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0031	0.0083
Schistosoma mansoni	importin beta-1	0.0032	0.0093	0.0276
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0049	0.0049
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.0122	0.1941
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0261	0.0773
Brugia malayi	isocitrate dehydrogenase	0.0019	0.0033	0.049
Schistosoma mansoni	hypothetical protein	0.0368	0.1548	0.4576
Onchocerca volvulus	Huntingtin homolog	0.014	0.0561	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0003	0.0008
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.022	0.0908	0.2678
Echinococcus granulosus	microtubule associated protein 2	0.0791	0.3382	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0139	0.0557	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0261	0.0773
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0093	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0003	0.0008
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0057	0.02	0.3219
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0024	0.0056	0.6018
Echinococcus granulosus	histone acetyltransferase MYST2	0.0064	0.0229	0.0668
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0031	0.0459
Plasmodium falciparum	importin beta, putative	0.0032	0.0093	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0139	0.0557	0.1647
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0003	0.0008
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0139	0.0557	0.164
Toxoplasma gondii	HEAT repeat-containing protein	0.0032	0.0093	0.0093
Echinococcus multilocularis	muscleblind protein	0.0153	0.0616	0.1816
Loa Loa (eye worm)	hypothetical protein	0.2317	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0071	0.0261	0.0765
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.2317	1	1
Echinococcus multilocularis	geminin	0.0368	0.1548	0.4572
Loa Loa (eye worm)	hypothetical protein	0.2317	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0003	0.0001
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0057	0.02	0.3219
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0049	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0031	0.0029
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0022	0.0049	0.2709
Echinococcus granulosus	bloom syndrome protein	0.0022	0.0049	0.0137
Schistosoma mansoni	hypothetical protein	0.0368	0.1548	0.4576
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0024	0.0056	0.0056
Schistosoma mansoni	hypothetical protein	0.034	0.1426	0.4216
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0003	0.0001
Brugia malayi	mbt repeat family protein	0.0056	0.0195	0.3131
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0056	0.0195	0.0569
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0031	0.0083
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0022	0.0049	0.2709
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0022	0.0049	0.0137
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0024	0.0056	0.0157
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0022	0.0049	0.2709
Schistosoma mansoni	aldehyde dehydrogenase	0.0139	0.0557	0.1647
Loa Loa (eye worm)	RecQ helicase	0.0022	0.0049	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0003	0.0001
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0049	0.0049
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0139	0.0557	0.164
Brugia malayi	Importin beta-1 subunit	0.0032	0.0093	0.1472
Brugia malayi	RNA binding protein	0.0071	0.0261	0.4214
Entamoeba histolytica	hypothetical protein	0.0026	0.0067	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0003	0.0001
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0011	0.0002	0.0201
Brugia malayi	mbt repeat family protein	0.0056	0.0195	0.3131
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0057	0.02	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0153	0.0616	0.0615
Echinococcus granulosus	SAM and MBT domain containing protein	0.0056	0.0195	0.0569
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0261	0.0773
Schistosoma mansoni	hypothetical protein	0.0018	0.0031	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0153	0.0616	0.0615
Loa Loa (eye worm)	TAR-binding protein	0.0071	0.0261	0.026
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0003	0.0001
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0064	0.0229	0.3678
Toxoplasma gondii	hypothetical protein	0.2317	1	1
Schistosoma mansoni	hypothetical protein	0.0018	0.0031	0.0092
Schistosoma mansoni	sex comb on midleg homolog	0.0056	0.0195	0.0577
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0139	0.0557	1
Echinococcus multilocularis	muscleblind protein 1	0.0153	0.0616	0.1816
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0019	0.0033	0.4794
Echinococcus granulosus	muscleblind protein	0.0153	0.0616	0.1816
Echinococcus granulosus	tar DNA binding protein	0.0071	0.0261	0.0765
Brugia malayi	Bloom's syndrome protein homolog	0.0022	0.0049	0.0756
Schistosoma mansoni	DNA helicase recq1	0.0022	0.0049	0.0146
Schistosoma mansoni	microtubule-associated protein tau	0.0791	0.3382	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0031	0.0083
Brugia malayi	Isocitrate dehydrogenase	0.0019	0.0033	0.049
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0003	0.0008
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0049	0.0756
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0056	0.0195	0.3439
Loa Loa (eye worm)	hypothetical protein	0.0057	0.02	0.0199
Loa Loa (eye worm)	MBCTL1	0.0064	0.0229	0.0227
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0064	0.0229	0.0668
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0024	0.0056	1
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.022	0.0908	0.2678
Echinococcus multilocularis	microtubule associated protein 2	0.0791	0.3382	1
Entamoeba histolytica	Ran family GTPase	0.0024	0.0056	0.842
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0019	0.0033	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0003	0.0001
Loa Loa (eye worm)	RNA binding protein	0.0071	0.0261	0.026
Echinococcus granulosus	importin subunit beta 1	0.0032	0.0093	0.0267
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0139	0.0557	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0033	0.0089
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0024	0.0056	0.3844
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0019	0.0033	0.3531
Brugia malayi	TAR-binding protein	0.0071	0.0261	0.4214
Schistosoma mansoni	blooms syndrome DNA helicase	0.0011	0.0002	0.0006
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0064	0.0229	0.0676
Echinococcus multilocularis	polycomb protein SCMH1	0.0056	0.0195	0.0569
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0003	0.0008
Loa Loa (eye worm)	mbt repeat family protein	0.0056	0.0195	0.0193
Brugia malayi	RNA, U transporter 1	0.0092	0.0352	0.5695
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0019	0.0033	0.0089
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0024	0.0056	0.3844
Schistosoma mansoni	hypothetical protein	0.0039	0.0122	0.0361
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0019	0.0033	0.0089
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0067	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0031	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0093	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0003	0.0001
Schistosoma mansoni	hypothetical protein	0.0018	0.0031	0.0092
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0139	0.0557	0.5
Onchocerca volvulus		0.0056	0.0195	0.3439
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0022	0.0049	0.0137
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0033	0.0089
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0024	0.0056	0.0157
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0019	0.0033	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0003	0.0001
Schistosoma mansoni	sex comb on midleg homolog	0.0056	0.0195	0.0577
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0064	0.0229	0.0668
Toxoplasma gondii	isocitrate dehydrogenase	0.0019	0.0033	0.0033
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0003	0.0008
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0056	0.0195	0.0577
Echinococcus multilocularis	snurportin 1	0.0346	0.1453	0.4292
Entamoeba histolytica	recQ family helicase, putative	0.0022	0.0049	0.7393
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0024	0.0056	0.0867
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0261	0.0773
Schistosoma mansoni	ran	0.0024	0.0056	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0003	0.0001
Loa Loa (eye worm)	hypothetical protein	0.014	0.0561	0.056
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0003	0.0001
Toxoplasma gondii	aldehyde dehydrogenase	0.0139	0.0557	0.0557
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0056	0.8374
Loa Loa (eye worm)	hypothetical protein	0.014	0.0561	0.056
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0067	0.0643
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0346	0.1453	0.1451
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0022	0.0049	0.0137
Trichomonas vaginalis	ran, putative	0.0024	0.0056	0.3938
Treponema pallidum	ATP-dependent DNA helicase	0.0011	0.0002	0.5
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0122	0.012
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0003	0.0001
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0067	1
Schistosoma mansoni	hypothetical protein	0.0346	0.1453	0.4296
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0093	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0229	0.0227
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0019	0.0033	0.4794
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0024	0.0056	0.0054
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0003	0.0008
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0003	0.0001
Echinococcus granulosus	polycomb protein SCMH1	0.0056	0.0195	0.0569
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0033	0.0089
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0003	0.0008
Schistosoma mansoni	coup transcription factor	0.0012	0.0003	0.0008
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0064	0.0229	0.0668
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0022	0.0049	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0002	0.00000000003984
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0003	0.0001
Schistosoma mansoni	ran	0.0024	0.0056	0.0166
Echinococcus granulosus	geminin	0.0368	0.1548	0.4572
Schistosoma mansoni	DNA helicase recq5	0.0022	0.0049	0.0146
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0022	0.0049	0.0137
Schistosoma mansoni	hypothetical protein	0.0018	0.0031	0.0092
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0031	0.0083
Leishmania major	GTP-binding protein, putative	0.0024	0.0056	0.0442
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0139	0.0557	0.5
Toxoplasma gondii	isocitrate dehydrogenase	0.0019	0.0033	0.0033
Echinococcus multilocularis	bloom syndrome protein	0.0022	0.0049	0.0137
Echinococcus multilocularis	importin subunit beta 1	0.0032	0.0093	0.0267
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0071	0.0261	0.026
Echinococcus granulosus	GPCR family 2	0.0018	0.0031	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0195	0.0193
Onchocerca volvulus	Huntingtin homolog	0.014	0.0561	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0019	0.0033	0.0089
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0056	0.8374
Plasmodium vivax	importin-beta 2, putative	0.0032	0.0093	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0003	0.0001
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0003	0.0001
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0022	0.0049	0.0312
Echinococcus granulosus	snurportin 1	0.0346	0.1453	0.4292
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0003	0.0008
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0067	1
Brugia malayi	RNA recognition motif domain containing protein	0.0071	0.0261	0.4214

Activities

Activity type	Activity value	Assay description	Source	Reference
Reduction (functional)	= 24 %	Maximum percentage reduction in mean blood pressure in metacorticoid (DOCA) hypertensive rats at a standard oral dose of 100 mg/kg	ChEMBL.	3361579

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: 387238

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 303540