TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 321.201 | Formula: C16H14Cl2N2O
H donors: 0 H acceptors: 2 LogP: 4.31 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: ClCCc1c(C)nc2c(c1Cl)c(OC)cc1c2nccc1
InChi: 1S/C16H14Cl2N2O/c1-9-11(5-6-17)14(18)13-12(21-2)8-10-4-3-7-19-15(10)16(13)20-9/h3-4,7-8H,5-6H2,1-2H3
InChiKey: OWXSHCOTHPTTCL-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
Trypanosoma cruzi	cysteine peptidase, putative	0.0524535	0.612595	0.612595
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0524535	0.612595	0.612595
Leishmania major	cysteine peptidase A (CPA)	0.0524535	0.612595	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0524535	0.612595	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0346982	0.165201	0.269674
Loa Loa (eye worm)	hypothetical protein	0.0358775	0.194917	0.0355959
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.067828	1	1
Brugia malayi	Cathepsin L-like precursor	0.0524535	0.612595	0.612595
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0524535	0.612595	1
Loa Loa (eye worm)	hypothetical protein	0.0358775	0.194917	0.0355959
Brugia malayi	Cathepsin L-like precursor	0.0358775	0.194917	0.194917
Toxoplasma gondii	cathepsin CPL	0.0524535	0.612595	1
Echinococcus multilocularis	cysteine protease	0.0524535	0.612595	0.612595
Loa Loa (eye worm)	hypothetical protein	0.067828	1	1
Onchocerca volvulus	Cathepsin F homolog	0.0524535	0.612595	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.067828	1	1
Brugia malayi	Cathepsin L-like precursor	0.0524535	0.612595	0.612595
Leishmania major	cathepsin L-like protease	0.0524535	0.612595	1
Onchocerca volvulus		0.0524535	0.612595	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0524535	0.612595	0.612595
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0524535	0.612595	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0524535	0.612595	1
Echinococcus granulosus	cathepsin l1	0.0524535	0.612595	0.612595
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0524535	0.612595	1
Leishmania major	cathepsin L-like protease	0.0524535	0.612595	1
Onchocerca volvulus	Cathepsin L homolog	0.0524535	0.612595	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0524535	0.612595	1
Brugia malayi	Cathepsin L-like precursor	0.0524535	0.612595	0.612595
Brugia malayi	Cathepsin L-like precursor	0.0524535	0.612595	0.612595
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0524535	0.612595	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0346982	0.165201	0.165201
Brugia malayi	cathepsin B-like cysteine proteinase	0.067828	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0358775	0.194917	0.318182
Loa Loa (eye worm)	fibroinase	0.0524535	0.612595	0.53593
Onchocerca volvulus		0.0524535	0.612595	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0524535	0.612595	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0524535	0.612595	0.53593
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0524535	0.612595	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0346982	0.165201	0.165201
Onchocerca volvulus		0.0524535	0.612595	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0524535	0.612595	1
Echinococcus granulosus	cathepsin l1	0.0358775	0.194917	0.194917
Brugia malayi	Cathepsin L-like precursor	0.0358775	0.194917	0.194917
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0524535	0.612595	0.612595
Schistosoma mansoni	cathepsin F (C01 family)	0.0524535	0.612595	0.612595
Loa Loa (eye worm)	hypothetical protein	0.0358775	0.194917	0.0355959
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0524535	0.612595	1
Leishmania major	cathepsin L-like protease	0.0524535	0.612595	1
Leishmania major	cathepsin L-like protease	0.0524535	0.612595	1
Onchocerca volvulus		0.0524535	0.612595	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0524535	0.612595	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0358775	0.194917	0.318182
Giardia lamblia	Cathepsin B precursor	0.0346982	0.165201	0.5
Giardia lamblia	Cathepsin B precursor	0.0346982	0.165201	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0524535	0.612595	1
Brugia malayi	Cathepsin L-like precursor	0.0524535	0.612595	0.612595
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0524535	0.612595	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0524535	0.612595	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0524535	0.612595	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0524535	0.612595	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0524535	0.612595	1
Brugia malayi	cathepsin L-like precursor	0.0358775	0.194917	0.194917
Schistosoma mansoni	cathepsin F (C01 family)	0.0524535	0.612595	0.612595
Leishmania major	cathepsin L-like protease	0.0524535	0.612595	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0524535	0.612595	0.612595
Plasmodium vivax	vivapain-2	0.0524535	0.612595	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0524535	0.612595	1
Brugia malayi	Cathepsin L-like precursor	0.0524535	0.612595	0.612595
Loa Loa (eye worm)	ctsf protein	0.0524535	0.612595	0.53593
Echinococcus multilocularis	cathepsin b	0.067828	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0524535	0.612595	1
Loa Loa (eye worm)	cysteine protease	0.0524535	0.612595	0.53593
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0524535	0.612595	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0524535	0.612595	0.612595
Plasmodium vivax	vivapain-2	0.0524535	0.612595	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0524535	0.612595	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0524535	0.612595	1
Echinococcus multilocularis	cathepsin b	0.067828	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0524535	0.612595	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0524535	0.612595	0.53593
Entamoeba histolytica	cysteine proteinase, putative	0.0524535	0.612595	1
Echinococcus granulosus	cathepsin b	0.067828	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0524535	0.612595	1
Leishmania major	cathepsin L-like protease	0.0524535	0.612595	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.067828	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0524535	0.612595	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0358775	0.194917	0.194917
Loa Loa (eye worm)	hypothetical protein	0.0524535	0.612595	0.53593
Brugia malayi	Papain family cysteine protease containing protein	0.0524535	0.612595	0.612595
Trypanosoma cruzi	cysteine peptidase, putative	0.0524535	0.612595	0.612595
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0524535	0.612595	0.612595
Onchocerca volvulus		0.0524535	0.612595	1
Onchocerca volvulus		0.0524535	0.612595	1
Echinococcus granulosus	cathepsin b	0.067828	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.067828	1	1
Leishmania major	cathepsin L-like protease	0.0524535	0.612595	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0524535	0.612595	0.612595
Leishmania major	cathepsin L-like protease	0.0524535	0.612595	1
Entamoeba histolytica	cysteine proteinase, putative	0.0358775	0.194917	0.318182
Onchocerca volvulus	Cathepsin L homolog	0.0524535	0.612595	1
Giardia lamblia	Cathepsin B precursor	0.0346982	0.165201	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0524535	0.612595	1
Entamoeba histolytica	cysteine protease, putative	0.0524535	0.612595	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0524535	0.612595	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0524535	0.612595	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0524535	0.612595	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0524535	0.612595	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0524535	0.612595	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0524535	0.612595	0.612595
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0524535	0.612595	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0346982	0.165201	0.269674
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0358775	0.194917	0.194917
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0524535	0.612595	1
Echinococcus multilocularis	cysteine protease	0.0524535	0.612595	0.612595
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0358775	0.194917	0.194917
Onchocerca volvulus		0.0524535	0.612595	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0524535	0.612595	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0524535	0.612595	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.067828	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0524535	0.612595	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0524535	0.612595	0.612595
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0524535	0.612595	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0524535	0.612595	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0524535	0.612595	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)		Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 gametocytes after 48 hrs by microscopy	ChEMBL.	18653332
IC50 (functional)	= 5 uM	Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum FcM29 after 48 hrs by [3H]hypoxanthine uptake	ChEMBL.	18653332
IC50 (functional)	= 6.56 uM	Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 after 48 hrs by [3H]hypoxanthine uptake	ChEMBL.	18653332
IC50 (functional)	= 7.71 uM	Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum F32 after 48 hrs by [3H]hypoxanthine uptake	ChEMBL.	18653332

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	18653332

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: CHEMBL503597

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 1004369