TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 396.918 | Formula: C15H17ClN6OS2
H donors: 3 H acceptors: 3 LogP: 3.66 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: NC(=Nc1scc(n1)C(=O)Nc1sc2c(n1)c(ccc2)C(C)C)N.Cl
InChi: 1S/C15H16N6OS2.ClH/c1-7(2)8-4-3-5-10-11(8)19-15(24-10)20-12(22)9-6-23-14(18-9)21-13(16)17;/h3-7H,1-2H3,(H,19,20,22)(H4,16,17,18,21);1H
InChiKey: QXOJJIZXNBALTG-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
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0119	0.1992	0.1962
Trypanosoma cruzi	cysteine peptidase, putative	0.0307	0.6674	1
Giardia lamblia	Cathepsin B precursor	0.0111	0.1777	0.5
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0119	0.1992	0.1962
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0294	0.6356	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0137	0.2431	0.2402
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0645	0.3112
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0119	0.1992	1
Brugia malayi	Cathepsin L-like precursor	0.0119	0.1992	0.1962
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0307	0.6674	1
Plasmodium vivax	unspecified product	0.0065	0.0645	0.3108
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0307	0.6674	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0119	0.1992	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0097	0.144	0.2266
Echinococcus multilocularis	cathepsin L	0.0065	0.0645	0.0611
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.027	0.5756	0.8477
Trypanosoma cruzi	major cysteine proteinase, putative	0.0216	0.441	0.6244
Trypanosoma cruzi	cysteine peptidase, putative	0.0307	0.6674	1
Brugia malayi	Cathepsin L-like precursor	0.0083	0.1074	0.1041
Echinococcus granulosus	cysteine protease	0.0065	0.0645	0.0611
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0119	0.1992	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0119	0.1992	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0119	0.1992	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0119	0.1992	1
Leishmania major	cathepsin L-like protease	0.0119	0.1992	0.0438
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0122	0.0085
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0119	0.1992	0.1962
Schistosoma mansoni	cathepsin F (C01 family)	0.0119	0.1992	0.3134
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0065	0.0645	0.1016
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0122	0.0085
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0041	0.0038	0.0006
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0119	0.1992	1
Brugia malayi	Cathepsin L-like precursor	0.0119	0.1992	0.1962
Loa Loa (eye worm)	hypothetical protein	0.005	0.0268	0.0232
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0122	0.0085
Trypanosoma cruzi	cruzipain precursor, putative	0.0307	0.6674	1
Loa Loa (eye worm)	fibroinase	0.0119	0.1992	0.1962
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0119	0.1992	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0307	0.6674	1
Onchocerca volvulus		0.0119	0.1992	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0119	0.1992	0.1962
Schistosoma mansoni	patched 1	0.0041	0.0037	0.0058
Brugia malayi	cathepsin L-like precursor	0.0083	0.1074	0.1041
Toxoplasma gondii	cathepsin CPL	0.0119	0.1992	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0307	0.6674	1
Echinococcus multilocularis	expressed conserved protein	0.009	0.1258	0.1226
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0119	0.1992	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0119	0.1992	0.1962
Echinococcus granulosus	Niemann Pick C1 protein	0.0096	0.1403	0.1371
Onchocerca volvulus	Cathepsin L homolog	0.0119	0.1992	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0119	0.1992	0.3134
Onchocerca volvulus		0.0119	0.1992	1
Loa Loa (eye worm)	hypothetical protein	0.0083	0.1074	0.1041
Plasmodium vivax	vivapain-2	0.0119	0.1992	1
Echinococcus multilocularis	cysteine protease	0.0119	0.1992	0.1962
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0307	0.6674	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0083	0.1074	0.1041
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0136	0.2409	0.2381
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0119	0.1992	1
Onchocerca volvulus		0.0119	0.1992	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0119	0.1992	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0119	0.1992	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0122	0.0085
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0294	0.6356	1
Plasmodium vivax	vivapain-1	0.0065	0.0645	0.3108
Echinococcus granulosus	cathepsin l1	0.0119	0.1992	0.1962
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0119	0.1992	1
Leishmania major	cathepsin L-like protease	0.0307	0.6674	1
Echinococcus multilocularis	cysteine protease	0.0119	0.1992	0.1962
Brugia malayi	Cathepsin L-like precursor	0.0119	0.1992	0.1962
Brugia malayi	Papain family cysteine protease containing protein	0.0119	0.1992	0.1962
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0119	0.1992	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0083	0.1074	0.5304
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0307	0.6674	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0294	0.6356	0.9471
Echinococcus multilocularis	Niemann Pick C1 protein	0.0096	0.1403	0.1371
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0119	0.1992	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0065	0.0645	0.1016
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0041	0.0038	0.0006
Leishmania major	cathepsin L-like protease	0.0307	0.6674	1
Echinococcus multilocularis	muscleblind protein	0.044	1	1
Leishmania major	cathepsin L-like protease	0.0119	0.1992	0.0438
Leishmania major	cathepsin L-like protease	0.0307	0.6674	1
Echinococcus granulosus	expressed conserved protein	0.009	0.1258	0.1226
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0645	0.3112
Plasmodium vivax	vivapain-3	0.0065	0.0645	0.3108
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0119	0.1992	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0307	0.6674	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0122	0.0085
Trypanosoma cruzi	cysteine peptidase, putative	0.0119	0.1992	0.2234
Loa Loa (eye worm)	cathepsin B	0.0111	0.1777	0.1747
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0119	0.1992	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0307	0.6674	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0065	0.0645	0.0611
Entamoeba histolytica	cysteine proteinase, putative	0.0119	0.1992	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0122	0.0192
Brugia malayi	Papain family cysteine protease containing protein	0.0065	0.0645	0.0611
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0119	0.1992	1
Echinococcus multilocularis	cathepsin b	0.0294	0.6356	0.6342
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0307	0.6674	1
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1992	0.1962
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0294	0.6356	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0119	0.1992	0.1962
Brugia malayi	Cathepsin L-like precursor	0.0119	0.1992	0.1962
Onchocerca volvulus		0.0119	0.1992	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0041	0.0038	0.0001
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0119	0.1992	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0119	0.1992	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0137	0.2431	0.2402
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0096	0.1403	0.5629
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0111	0.1777	0.8902
Brugia malayi	cathepsin B-like cysteine proteinase	0.0294	0.6356	0.6342
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0111	0.1777	0.1877
Onchocerca volvulus		0.0119	0.1992	1
Loa Loa (eye worm)	hypothetical protein	0.0294	0.6356	0.6342
Echinococcus granulosus	cathepsin b	0.0294	0.6356	0.6342
Leishmania major	cathepsin L-like protease	0.0119	0.1992	0.0438
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0119	0.1992	0.1962
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0111	0.1777	0.2796
Giardia lamblia	Cathepsin B precursor	0.0111	0.1777	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0119	0.1992	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.0096	0.1403	0.1371
Onchocerca volvulus		0.0119	0.1992	1
Brugia malayi	Cathepsin L-like precursor	0.0119	0.1992	0.1962
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0065	0.0645	0.1016
Onchocerca volvulus	Cathepsin L homolog	0.0119	0.1992	1
Leishmania major	cathepsin L-like protease	0.0119	0.1992	0.0438
Entamoeba histolytica	cysteine proteinase, putative	0.0119	0.1992	1
Leishmania major	cysteine peptidase A (CPA)	0.0119	0.1992	0.0438
Brugia malayi	acetyltransferase, GNAT family protein	0.014	0.2507	0.2479
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0119	0.1992	1
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.014	0.2507	0.2479
Loa Loa (eye worm)	ctsf protein	0.0119	0.1992	0.1962
Onchocerca volvulus	Cathepsin F homolog	0.0119	0.1992	1
Entamoeba histolytica	cysteine protease, putative	0.0119	0.1992	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0119	0.1992	1
Giardia lamblia	Cathepsin B precursor	0.0111	0.1777	0.5
Loa Loa (eye worm)	cysteine protease	0.0119	0.1992	0.1962
Entamoeba histolytica	cysteine proteinase, putative	0.0083	0.1074	0.3182
Loa Loa (eye worm)	hypothetical protein	0.0083	0.1074	0.1041
Echinococcus granulosus	cathepsin L	0.0065	0.0645	0.0611
Toxoplasma gondii	cathepsin B	0.0111	0.1777	0.8901
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0307	0.6674	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0119	0.1992	1
Plasmodium vivax	vivapain-2	0.0119	0.1992	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0119	0.1992	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0119	0.1992	0.1962
Brugia malayi	Papain family cysteine protease containing protein	0.0065	0.0645	0.0611
Echinococcus multilocularis	cathepsin b	0.0294	0.6356	0.6342
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0122	0.0192
Loa Loa (eye worm)	acetyltransferase	0.014	0.2507	0.2479
Echinococcus multilocularis	protein dispatched 1	0.0047	0.0182	0.0146
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0307	0.6674	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0111	0.1777	0.1877
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0122	0.0192
Onchocerca volvulus		0.0119	0.1992	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0083	0.1074	0.5304
Echinococcus multilocularis	muscleblind protein 1	0.044	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0119	0.1992	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0294	0.6356	1
Echinococcus granulosus	muscleblind protein	0.044	1	1
Loa Loa (eye worm)	hypothetical protein	0.044	1	1
Loa Loa (eye worm)	hypothetical protein	0.0083	0.1074	0.1041
Brugia malayi	Cathepsin L-like precursor	0.0083	0.1074	0.1041
Loa Loa (eye worm)	hypothetical protein	0.044	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0119	0.1992	1
Leishmania major	cathepsin L-like protease	0.0119	0.1992	0.0438
Echinococcus granulosus	cathepsin b	0.0294	0.6356	0.6342
Schistosoma mansoni	cathepsin F (C01 family)	0.0083	0.1074	0.169
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.014	0.2507	0.3944
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1403	0.1371
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0119	0.1992	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0307	0.6674	1
Brugia malayi	Cathepsin L-like precursor	0.0119	0.1992	0.1962
Echinococcus granulosus	cathepsin l1	0.0083	0.1074	0.1041
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0122	0.0085

Activities

No activities found for this compound.

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: CHEMBL537992

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 1030150