TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 481.371 | Formula: C21H19Cl2FN4O2S
H donors: 0 H acceptors: 4 LogP: 3.71 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(c1ccc(cc1F)Cl)c1cncnc1
InChi: 1S/C21H19Cl2FN4O2S/c22-16-1-4-18(5-2-16)31(29,30)28-9-7-27(8-10-28)21(15-12-25-14-26-13-15)19-6-3-17(23)11-20(19)24/h1-6,11-14,21H,7-10H2
InChiKey: RLOROTNHUCUAFZ-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
Brugia malayi	Papain family cysteine protease containing protein	0.0163	0.1967	0.3016
Loa Loa (eye worm)	hypothetical protein	0.0323	0.6522	1
Leishmania major	cathepsin L-like protease	0.0163	0.1967	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0163	0.1967	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0163	0.1967	0.35
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0163	0.1967	0.35
Toxoplasma gondii	cathepsin CPC2	0.0193	0.2835	0.2084
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0163	0.1967	0.2534
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0163	0.1967	0.35
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0163	0.1967	0.35
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0163	0.1967	0.2534
Loa Loa (eye worm)	hypothetical protein	0.0163	0.1967	0.2534
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0163	0.1967	0.35
Leishmania major	cysteine peptidase A (CPA)	0.0163	0.1967	1
Entamoeba histolytica	cysteine proteinase, putative	0.0163	0.1967	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0163	0.1967	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0163	0.1967	0.3016
Onchocerca volvulus	Cathepsin F homolog	0.0163	0.1967	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0163	0.1967	0.3016
Echinococcus granulosus	cathepsin b	0.0323	0.6522	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0323	0.6522	0.6522
Onchocerca volvulus	Cathepsin L homolog	0.0163	0.1967	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0163	0.1967	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0163	0.1967	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0163	0.1967	0.35
Echinococcus granulosus	cathepsin l1	0.0163	0.1967	0.3016
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0193	0.2835	0.2084
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0127	0.0949	0.4827
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0163	0.1967	0.35
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0163	0.1967	0.35
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0446	1	1
Onchocerca volvulus		0.0163	0.1967	1
Toxoplasma gondii	cathepsin CPC1	0.0446	1	1
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0446	1	1
Onchocerca volvulus		0.0163	0.1967	1
Brugia malayi	Cathepsin L-like precursor	0.0108	0.0421	0.0646
Loa Loa (eye worm)	cathepsin B	0.0127	0.0949	0.0866
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0323	0.6522	0.6522
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.0421	0.0749
Leishmania major	cathepsin L-like protease	0.0163	0.1967	1
Leishmania major	cathepsin L-like protease	0.0163	0.1967	1
Loa Loa (eye worm)	fibroinase	0.0163	0.1967	0.2534
Entamoeba histolytica	cysteine protease, putative	0.0163	0.1967	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0163	0.1967	0.35
Brugia malayi	Cathepsin L-like precursor	0.0108	0.0421	0.0646
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0193	0.2835	0.2835
Toxoplasma gondii	cathepsin CPL	0.0163	0.1967	0.1124
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0163	0.1967	0.3016
Plasmodium vivax	vivapain-2	0.0163	0.1967	0.1967
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0193	0.2835	0.2084
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0163	0.1967	0.35
Giardia lamblia	Encystation-specific protease	0.0193	0.2835	0.2084
Schistosoma mansoni	cathepsin F (C01 family)	0.0163	0.1967	0.1967
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0163	0.1967	0.35
Entamoeba histolytica	cysteine proteinase, putative	0.0108	0.0421	0.2141
Trypanosoma cruzi	cysteine peptidase, putative	0.0163	0.1967	0.3016
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0291	0.5619	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0163	0.1967	0.35
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0163	0.1967	0.35
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0163	0.1967	1
Echinococcus multilocularis	cathepsin b	0.0323	0.6522	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0163	0.1967	0.3016
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0163	0.1967	0.1967
Brugia malayi	Cathepsin L-like precursor	0.0163	0.1967	0.3016
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0446	1	1
Leishmania major	cathepsin L-like protease	0.0163	0.1967	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0163	0.1967	0.35
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0163	0.1967	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0323	0.6522	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0163	0.1967	0.35
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0446	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0163	0.1967	0.35
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0163	0.1967	0.35
Onchocerca volvulus		0.0163	0.1967	1
Echinococcus multilocularis	cysteine protease	0.0163	0.1967	0.3016
Echinococcus multilocularis	cathepsin L cysteine protease	0.0163	0.1967	0.3016
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0323	0.6522	0.6522
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0163	0.1967	0.35
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0163	0.1967	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0163	0.1967	0.35
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0163	0.1967	0.35
Echinococcus granulosus	cathepsin l1	0.0108	0.0421	0.0646
Entamoeba histolytica	cysteine proteinase, putative	0.0163	0.1967	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0163	0.1967	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0163	0.1967	0.1967
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0163	0.1967	0.35
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0163	0.1967	0.35
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0163	0.1967	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0163	0.1967	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0108	0.0421	0.0646
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0193	0.2835	0.2835
Brugia malayi	cathepsin L-like precursor	0.0108	0.0421	0.0646
Leishmania major	cathepsin L-like protease	0.0163	0.1967	1
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0446	1	1
Onchocerca volvulus		0.0163	0.1967	1
Brugia malayi	Cathepsin L-like precursor	0.0163	0.1967	0.3016
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0163	0.1967	0.1967
Brugia malayi	Cathepsin L-like precursor	0.0163	0.1967	0.3016
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0163	0.1967	0.35
Onchocerca volvulus		0.0163	0.1967	1
Leishmania major	cathepsin L-like protease	0.0163	0.1967	1
Leishmania major	cathepsin L-like protease	0.0163	0.1967	1
Loa Loa (eye worm)	cysteine protease	0.0163	0.1967	0.2534
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.0421	0.0749
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0323	0.6522	0.6522
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0163	0.1967	0.35
Onchocerca volvulus	Cathepsin L homolog	0.0163	0.1967	1
Echinococcus granulosus	cathepsin b	0.0323	0.6522	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0163	0.1967	0.3016
Onchocerca volvulus		0.0163	0.1967	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0127	0.0949	0.1456
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0163	0.1967	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0127	0.0949	0.169
Echinococcus multilocularis	cysteine protease	0.0163	0.1967	0.3016
Trypanosoma cruzi	cysteine peptidase, putative	0.0163	0.1967	0.3016
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0446	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0163	0.1967	0.3016
Echinococcus multilocularis	cathepsin L cysteine protease	0.0163	0.1967	0.3016
Plasmodium vivax	vivapain-2	0.0163	0.1967	0.1967
Brugia malayi	cathepsin B-like cysteine proteinase	0.0323	0.6522	1
Onchocerca volvulus		0.0163	0.1967	1
Loa Loa (eye worm)	ctsf protein	0.0163	0.1967	0.2534
Echinococcus multilocularis	cathepsin b	0.0323	0.6522	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0163	0.1967	0.3016
Brugia malayi	Cathepsin L-like precursor	0.0163	0.1967	0.3016
Schistosoma mansoni	cathepsin F (C01 family)	0.0163	0.1967	0.1967
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0163	0.1967	0.35
Leishmania major	cathepsin L-like protease	0.0163	0.1967	1
Brugia malayi	Cathepsin L-like precursor	0.0163	0.1967	0.3016
Schistosoma mansoni	cathepsin F (C01 family)	0.0108	0.0421	0.0421
Brugia malayi	Cathepsin L-like precursor	0.0163	0.1967	0.3016
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0127	0.0949	0.0949
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0108	0.0421	0.0646

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.06 uM	DNDI: Inhibition of Chagas Disease parasite Trypanosoma cruzi (Tulahuen LacZ, Clone C4), in vitro.	ChEMBL.	No reference
IC90 (functional)	= 0.11 uM	DNDI: Inhibition of Chagas Disease parasite Trypanosoma cruzi (Tulahuen LacZ, Clone C4), in vitro.	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Trypanosoma cruzi	ChEMBL23

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: CHEMBL1862801

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 1575717