TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 251.28 | Formula: C11H10FN3OS
H donors: 2 H acceptors: 2 LogP: 1.12 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: NCc1csc(n1)NC(=O)c1ccc(cc1)F
InChi: 1S/C11H10FN3OS/c12-8-3-1-7(2-4-8)10(16)15-11-14-9(5-13)6-17-11/h1-4,6H,5,13H2,(H,14,15,16)
InChiKey: RNBNQXAMYOONQW-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 granulosus	tar DNA binding protein	0.0063	0.0537	0.0422
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0427	1	1
Loa Loa (eye worm)	hypothetical protein	0.0427	1	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0685	0.0572
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0188	0.3784	0.3708
Plasmodium vivax	vivapain-2	0.0096	0.1404	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0537	0.0422
Trypanosoma cruzi	cysteine proteinase, putative	0.0055	0.0349	0.0349
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0537	0.0422
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0096	0.1404	0.4241
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0151	0.2837	0.2837
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0143	0.2636	0.3947
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0143	0.2636	0.3947
Brugia malayi	cathepsin L-like precursor	0.0068	0.0685	0.0572
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0096	0.1404	0.13
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0288	0.017
Echinococcus granulosus	cathepsin l1	0.0096	0.1404	0.13
Echinococcus granulosus	cysteine protease	0.0055	0.0349	0.0232
Echinococcus granulosus	histone acetyltransferase MYST2	0.0053	0.0288	0.017
Onchocerca volvulus		0.0297	0.6636	1
Giardia lamblia	Cathepsin B precursor	0.0151	0.2837	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0427	1	1
Echinococcus multilocularis	cysteine protease	0.0096	0.1404	0.13
Onchocerca volvulus		0.0096	0.1404	0.1971
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0427	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0537	0.0422
Onchocerca volvulus		0.0096	0.1404	0.1971
Onchocerca volvulus		0.0096	0.1404	0.1971
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0096	0.1404	0.4241
Schistosoma mansoni	cathepsin F (C01 family)	0.0096	0.1404	0.13
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0143	0.2636	0.3947
Echinococcus multilocularis	cathepsin L	0.0055	0.0349	0.0232
Loa Loa (eye worm)	jmjC domain-containing protein	0.0057	0.0403	0.0286
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0151	0.2837	0.275
Brugia malayi	Papain family cysteine protease containing protein	0.0055	0.0349	0.0232
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0096	0.1404	0.4241
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.0239	0.0239
Loa Loa (eye worm)	MBCTL1	0.0053	0.0288	0.017
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0068	0.0685	0.0572
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0096	0.1404	0.4241
Leishmania major	cathepsin L-like protease	0.0143	0.2636	0.2335
Brugia malayi	Cathepsin L-like precursor	0.0096	0.1404	0.13
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0188	0.3784	0.3708
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0537	0.0422
Loa Loa (eye worm)	ctsf protein	0.0096	0.1404	0.13
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0537	0.0422
Echinococcus multilocularis	lysine specific demethylase 5A	0.0057	0.0403	0.0286
Brugia malayi	jmjC domain containing protein	0.0057	0.0403	0.0286
Trypanosoma cruzi	cysteine peptidase, putative	0.0143	0.2636	0.2636
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0096	0.1404	0.4241
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0096	0.1404	0.13
Onchocerca volvulus		0.0096	0.1404	0.1971
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0096	0.1404	0.4241
Brugia malayi	Cathepsin L-like precursor	0.0068	0.0685	0.0572
Echinococcus multilocularis	cysteine protease	0.0096	0.1404	0.13
Onchocerca volvulus	Cathepsin F homolog	0.0096	0.1404	0.1971
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0096	0.1404	0.4241
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0143	0.2636	0.3947
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0141	0.2585	0.3871
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0175	0.0055
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0143	0.2636	0.3947
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0096	0.1404	0.4241
Trypanosoma cruzi	major cysteine proteinase, putative	0.0075	0.0861	0.0861
Giardia lamblia	Cathepsin B precursor	0.0151	0.2837	0.5
Giardia lamblia	Cathepsin B precursor	0.0151	0.2837	0.5
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0053	0.0288	0.017
Brugia malayi	Cathepsin L-like precursor	0.0096	0.1404	0.13
Brugia malayi	Papain family cysteine protease containing protein	0.0096	0.1404	0.13
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0151	0.2837	0.2717
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0096	0.1404	0.13
Echinococcus multilocularis	cathepsin L cysteine protease	0.0096	0.1404	0.13
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0151	0.2837	0.4249
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0096	0.1404	0.4241
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0096	0.1404	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0096	0.1404	0.4241
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0116	0.1916	0.1916
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0143	0.2636	0.3947
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0096	0.1404	0.4241
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0299	0.6678	0.6678
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0053	0.0288	0.017
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.0685	0.1349
Onchocerca volvulus		0.0068	0.0685	0.0867
Brugia malayi	Papain family cysteine protease containing protein	0.0055	0.0349	0.0232
Entamoeba histolytica	cysteine proteinase, putative	0.0096	0.1404	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0143	0.2636	0.3947
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0096	0.1404	0.4241
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0096	0.1404	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0141	0.2585	0.2585
Schistosoma mansoni	hypothetical protein	0.0287	0.6377	0.6332
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0096	0.1404	0.4241
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0055	0.0349	0.0232
Trypanosoma cruzi	cysteine proteinase, putative	0.0055	0.0349	0.0349
Schistosoma mansoni	jumonji domain containing protein	0.0057	0.0403	0.0286
Echinococcus granulosus	lysine specific demethylase 5A	0.0057	0.0403	0.0286
Echinococcus multilocularis	cathepsin b	0.0427	1	1
Loa Loa (eye worm)	cysteine protease	0.0096	0.1404	0.13
Echinococcus granulosus	cathepsin b	0.0427	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0068	0.0685	0.0572
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0427	1	1
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0053	0.0288	0.017
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0175	0.0055
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0055	0.0349	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1404	0.13
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0057	0.0403	0.0286
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0096	0.1404	0.4241
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0096	0.1404	0.4241
Brugia malayi	RNA binding protein	0.0063	0.0537	0.0422
Mycobacterium ulcerans	hypothetical protein	0.0157	0.3	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0143	0.2636	0.2636
Trypanosoma cruzi	cysteine peptidase, putative	0.0096	0.1404	0.1404
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0055	0.0349	0.0232
Echinococcus granulosus	cathepsin b	0.0427	1	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0685	0.0572
Entamoeba histolytica	cysteine protease, putative	0.0096	0.1404	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0537	0.0422
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0096	0.1404	0.4241
Loa Loa (eye worm)	cathepsin B	0.0151	0.2837	0.275
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0537	0.0422
Echinococcus multilocularis	cathepsin b	0.0427	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0096	0.1404	0.13
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0096	0.1404	0.13
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0096	0.1404	0.4241
Brugia malayi	hypothetical protein	0.0297	0.6636	0.6596
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0175	0.0055
Entamoeba histolytica	cysteine proteinase, putative	0.0068	0.0685	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0143	0.2636	0.3947
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0537	0.0422
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0096	0.1404	0.4241
Brugia malayi	Cathepsin L-like precursor	0.0096	0.1404	0.13
Plasmodium vivax	vivapain-2	0.0096	0.1404	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0096	0.1404	0.4241
Trypanosoma cruzi	cruzipain precursor, putative	0.0143	0.2636	0.2636
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0055	0.0349	0.0349
Onchocerca volvulus		0.0096	0.1404	0.1971
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0096	0.1404	0.4241
Leishmania major	cathepsin L-like protease	0.0143	0.2636	0.2335
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0053	0.0288	0.017
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0096	0.1404	0.4241
Schistosoma mansoni	cathepsin F (C01 family)	0.0096	0.1404	0.13
Echinococcus granulosus	cathepsin L	0.0055	0.0349	0.0232
Onchocerca volvulus		0.0096	0.1404	0.1971
Toxoplasma gondii	cathepsin CPL	0.0096	0.1404	0.4647
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0096	0.1404	0.13
Echinococcus granulosus	cathepsin l1	0.0068	0.0685	0.0572
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0537	0.0422
Brugia malayi	Cathepsin L-like precursor	0.0096	0.1404	0.13
Leishmania major	mitochondrial DNA polymerase beta	0.0299	0.6678	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.0685	0.1349
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0096	0.1404	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0055	0.0349	0.0349
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0055	0.0349	0.0232
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0057	0.0403	0.0286
Echinococcus granulosus	cathepsin L cysteine protease	0.0055	0.0349	0.0232
Leishmania major	cathepsin L-like protease	0.0143	0.2636	0.2335
Onchocerca volvulus		0.0096	0.1404	0.1971
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0157	0.3	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0175	0.0055
Trypanosoma cruzi	cysteine protease, putative	0.0055	0.0349	0.0349
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0053	0.0288	0.017
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0299	0.6678	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0096	0.1404	0.4241
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0537	0.0422
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0427	1	1
Brugia malayi	TAR-binding protein	0.0063	0.0537	0.0422
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0143	0.2636	0.3947
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0143	0.2636	0.3947
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0096	0.1404	0.4241
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0096	0.1404	0.13
Onchocerca volvulus	Cathepsin L homolog	0.0096	0.1404	0.1971
Onchocerca volvulus	Cathepsin L homolog	0.0096	0.1404	0.1971
Trypanosoma cruzi	cysteine peptidase, putative	0.0143	0.2636	0.2636
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0096	0.1404	0.4241
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0055	0.0349	0.0523
Entamoeba histolytica	cysteine proteinase, putative	0.0096	0.1404	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0143	0.2636	0.3947
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0057	0.0403	0.0286
Brugia malayi	Cathepsin L-like precursor	0.0096	0.1404	0.13
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0141	0.2585	0.2239
Loa Loa (eye worm)	fibroinase	0.0096	0.1404	0.13
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0299	0.6678	0.6678
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0685	0.0572
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0151	0.2837	1
Brugia malayi	Cathepsin L-like precursor	0.0096	0.1404	0.13
Brugia malayi	jmjC domain containing protein	0.0057	0.0403	0.0286
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0057	0.0403	0.0286
Toxoplasma gondii	cathepsin B	0.0151	0.2837	1
Loa Loa (eye worm)	hypothetical protein	0.0297	0.6636	0.6596
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0096	0.1404	0.4241
Brugia malayi	Cathepsin L-like precursor	0.0068	0.0685	0.0572

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 123 uM	Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 asexual erythrocyte stages by parasite lactate dehydrogenase assay	ChEMBL.	25316314

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: CHEMBL3337970

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 933722