TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 247.703 | Formula: C11H6ClN3S
H donors: 1 H acceptors: 1 LogP: 2.5 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1c(Cl)nc(=S)[nH]c1c1ccccc1
InChi: 1S/C11H6ClN3S/c12-10-8(6-13)9(14-11(16)15-10)7-4-2-1-3-5-7/h1-5H,(H,14,15,16)
InChiKey: YCPRAJZXZIBWFZ-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	sodium:dicarboxylate symporter	0.0649	0.9316	0.9316
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0017	0	0.5
Plasmodium vivax	vivapain-2	0.0017	0	0.5
Brugia malayi	Matrixin family protein	0.0034	0.0247	0.0266
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0	0.5
Echinococcus granulosus	excitatory amino acid transporter 3	0.0649	0.9316	0.9316
Treponema pallidum	glutamate/aspartate transporter	0.0288	0.3991	0.5
Echinococcus granulosus	excitatory amino acid transporter 2	0.0649	0.9316	0.9316
Loa Loa (eye worm)	matrix metalloproteinase	0.0034	0.0247	0.0266
Leishmania major	cathepsin L-like protease	0.0064	0.0699	1
Echinococcus multilocularis	neutral amino acid transporter A	0.0649	0.9316	0.9316
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.0699	0.5
Loa Loa (eye worm)	excitatory amino acid transporter	0.0649	0.9316	1
Echinococcus multilocularis	neutral amino acid transporter A	0.0649	0.9316	0.9316
Treponema pallidum	glutamate transporter	0.0288	0.3991	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.0699	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0	0.5
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.008	0.0929	0.0929
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0122	0.1555	0.1555
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0075	0.0851	0.0914
Echinococcus granulosus	sodium:dicarboxylate symporter	0.0649	0.9316	0.9316
Mycobacterium ulcerans	hydrolase	0.0041	0.0355	0.5
Loa Loa (eye worm)	matrixin family protein	0.0075	0.0851	0.0914
Brugia malayi	Matrixin family protein	0.0034	0.0247	0.0266
Echinococcus multilocularis	Excitatory amino acid transporter	0.0649	0.9316	0.9316
Wolbachia endosymbiont of Brugia malayi	Na+/H+-dicarboxylate symporter	0.0649	0.9316	0.5
Schistosoma mansoni	hypothetical protein	0.0048	0.0455	0.0455
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0	0.5
Echinococcus multilocularis	neutral amino acid transporter excitatory amino acid transporter	0.0649	0.9316	0.9316
Echinococcus granulosus	neutral amino acid transporter A	0.0649	0.9316	0.9316
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.0699	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.0699	0.5
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0017	0	0.5
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0041	0.0355	0.0382
Echinococcus granulosus	neutral amino acid transporter A	0.0649	0.9316	0.9316
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0	0.5
Chlamydia trachomatis	glutamate symporter	0.0649	0.9316	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.0699	0.5
Brugia malayi	Matrixin family protein	0.0081	0.0951	0.1021
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0	0.5
Echinococcus granulosus	excitatory amino acid transporter 2	0.0649	0.9316	0.9316
Brugia malayi	Hemopexin family protein	0.0048	0.0455	0.0488
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0	0.5
Mycobacterium leprae	PROBABLE HYDROLASE	0.0041	0.0355	0.5
Echinococcus multilocularis	microtubule associated protein 2	0.0696	1	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0355	0.0382
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.0699	0.5
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0017	0	0.5
Brugia malayi	Matrixin family protein	0.0034	0.0247	0.0266
Loa Loa (eye worm)	matrixin family protein	0.0081	0.0951	0.1021
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0059	0.0617	0.8824
Leishmania major	cathepsin L-like protease	0.0064	0.0699	1
Brugia malayi	Matrixin family protein	0.0034	0.0247	0.0266
Schistosoma mansoni	sodium/dicarboxylate symporter-related	0.0288	0.3991	0.3991
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0	0.5
Onchocerca volvulus	Excitatory amino acid transporter homolog	0.0649	0.9316	1
Plasmodium vivax	vivapain-2	0.0017	0	0.5
Echinococcus granulosus	neutral amino acid transporter	0.0649	0.9316	0.9316
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0034	0.0247	0.0247
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.0699	1
Echinococcus multilocularis	sodium:dicarboxylate symporter	0.0288	0.3991	0.3991
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0	0.5
Onchocerca volvulus		0.0034	0.0247	0.0266
Toxoplasma gondii	cathepsin CPL	0.0017	0	0.5
Echinococcus multilocularis	excitatory amino acid transporter 2	0.0649	0.9316	0.9316
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0247	0.0266
Onchocerca volvulus	Matrilysin homolog	0.0075	0.0851	0.0914
Trypanosoma cruzi	cruzipain precursor, putative	0.0064	0.0699	1
Echinococcus multilocularis	excitatory amino acid transporter 3	0.0649	0.9316	0.9316
Schistosoma mansoni	sodium/dicarboxylate symporter-related	0.0288	0.3991	0.3991
Echinococcus multilocularis	neutral amino acid transporter A	0.0649	0.9316	0.9316
Onchocerca volvulus		0.0048	0.0455	0.0488
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.0699	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0247	0.0266
Onchocerca volvulus	Matrilysin homolog	0.0034	0.0247	0.0266
Schistosoma mansoni	microtubule-associated protein tau	0.0696	1	1
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0122	0.1555	0.1555
Echinococcus granulosus	Excitatory amino acid transporter	0.0649	0.9316	0.9316
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.0699	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.0699	1
Leishmania major	cathepsin L-like protease	0.0064	0.0699	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0051	0.0496	0.7098
Echinococcus multilocularis	neutral amino acid transporter excitatory amino acid transporter	0.0288	0.3991	0.3991
Echinococcus granulosus	Excitatory amino acid transporter	0.0649	0.9316	0.9316
Entamoeba histolytica	cysteine protease, putative	0.0017	0	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.0699	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.0699	0.5
Mycobacterium tuberculosis	Probable C4-dicarboxylate-transport transmembrane protein DctA	0.0649	0.9316	1
Brugia malayi	Excitatory amino acid transporter	0.0649	0.9316	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0247	0.0266
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0	0.5
Echinococcus multilocularis	excitatory amino acid transporter 2	0.0649	0.9316	0.9316
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.0699	0.5
Schistosoma mansoni	solute carrier family 1 (glial high affinity glutamate transporter	0.0649	0.9316	0.9316
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.0699	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0	0.5
Echinococcus multilocularis	Excitatory amino acid transporter	0.0649	0.9316	0.9316
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
GI (functional)	= 48.48 %	Cytotoxicity against human HOP92 cells assessed as growth inhibition at 10 uM	ChEMBL.	23811090
IZ (functional)	= 22 mm	Antifungal activity against Candida albicans ATCC 2091 assessed as diameter of inhibition zone at 1 mg/ml after 48 hrs by cup diffusion method (Rvb = 22 mm)	ChEMBL.	23811090

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: CHEMBL2415041

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1767321