TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 182.221 | Formula: C12H10N2
H donors: 0 H acceptors: 1 LogP: 2.02 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: Cn1cc2ccccc2c2c1ncc2
InChi: 1S/C12H10N2/c1-14-8-9-4-2-3-5-10(9)11-6-7-13-12(11)14/h2-8H,1H3
InChiKey: JRWIJVJNIFCISL-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	ecdysteroid receptor	0.00152365	0.0068927	0.0068927
Echinococcus granulosus	acetylcholinesterase	0.127321	1	1
Brugia malayi	nuclear hormone receptor	0.000718729	0.000538261	0.000538261
Loa Loa (eye worm)	hypothetical protein	0.0215129	0.164697	0.164697
Loa Loa (eye worm)	hypothetical protein	0.000718729	0.000538261	0.000538261
Onchocerca volvulus		0.0215129	0.164697	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0215129	0.164697	0.164697
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.00198991	0.0105736	0.0105736
Schistosoma mansoni	nuclear hormone receptor	0.000718729	0.000538261	0.000538261
Schistosoma mansoni	zinc finger protein	0.000718729	0.000538261	0.000538261
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.00152365	0.0068927	0.0068927
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.000804921	0.0012187	0.0012187
Schistosoma mansoni	gliotactin	0.0215129	0.164697	0.164697
Brugia malayi	Nuclear hormone receptor-like 1	0.000804921	0.0012187	0.0012187
Schistosoma mansoni	nuclear receptor nhr-48	0.000718729	0.000538261	0.000538261
Loa Loa (eye worm)	hypothetical protein	0.000718729	0.000538261	0.000538261
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.00152365	0.0068927	0.0068927
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.00152365	0.0068927	0.0068927
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.00152365	0.0068927	0.0068927
Loa Loa (eye worm)	hypothetical protein	0.000718729	0.000538261	0.000538261
Echinococcus granulosus	acetylcholinesterase	0.127321	1	1
Brugia malayi	nuclear receptor NHR-88	0.00152365	0.0068927	0.0068927
Loa Loa (eye worm)	hypothetical protein	0.000718729	0.000538261	0.000538261
Schistosoma mansoni	BC026374 protein (S09 family)	0.0215129	0.164697	0.164697
Brugia malayi	nuclear hormone receptor	0.00152365	0.0068927	0.0068927
Loa Loa (eye worm)	hypothetical protein	0.000804921	0.0012187	0.0012187
Brugia malayi	hypothetical protein	0.000804921	0.0012187	0.0012187
Schistosoma mansoni	thyroid hormone receptor	0.00152365	0.0068927	0.0068927
Onchocerca volvulus	Bile acid receptor homolog	0.00152365	0.0068927	0.038709
Schistosoma mansoni	voltage-gated potassium channel	0.00219391	0.0121841	0.0121841
Loa Loa (eye worm)	hypothetical protein	0.127321	1	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.00152365	0.0068927	0.0068927
Echinococcus granulosus	FTZ F1 alpha	0.00152365	0.0068927	0.0068927
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.00152365	0.0068927	0.0068927
Loa Loa (eye worm)	hypothetical protein	0.000718729	0.000538261	0.000538261
Brugia malayi	Carboxylesterase family protein	0.127321	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.000804921	0.0012187	0.0012187
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.00198991	0.0105736	0.0105736
Loa Loa (eye worm)	hypothetical protein	0.000718729	0.000538261	0.000538261
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.00152365	0.0068927	0.0068927
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0215129	0.164697	0.164697
Onchocerca volvulus	Protein ultraspiracle homolog	0.00152365	0.0068927	0.038709
Echinococcus granulosus	BC026374 protein S09 family	0.0215129	0.164697	0.164697
Loa Loa (eye worm)	carboxylesterase	0.127321	1	1
Loa Loa (eye worm)	hypothetical protein	0.0215129	0.164697	0.164697
Loa Loa (eye worm)	hypothetical protein	0.00152365	0.0068927	0.0068927
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.00152365	0.0068927	0.0068927
Loa Loa (eye worm)	hypothetical protein	0.00152365	0.0068927	0.0068927
Schistosoma mansoni	nuclear hormone receptor	0.000718729	0.000538261	0.000538261
Loa Loa (eye worm)	DR-78	0.000718729	0.000538261	0.000538261
Echinococcus multilocularis	thyroid hormone receptor alpha	0.00152365	0.0068927	0.0068927
Brugia malayi	Carboxylesterase family protein	0.0215129	0.164697	0.164697
Loa Loa (eye worm)	hypothetical protein	0.00152365	0.0068927	0.0068927
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.127321	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.00152365	0.0068927	0.0068927
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.00152365	0.0068927	0.0068927
Onchocerca volvulus		0.0215129	0.164697	1
Loa Loa (eye worm)	hypothetical protein	0.000718729	0.000538261	0.000538261
Echinococcus multilocularis	acetylcholinesterase	0.127321	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.000718729	0.000538261	0.000538261
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.00152365	0.0068927	0.0068927
Onchocerca volvulus		0.0215129	0.164697	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.00152365	0.0068927	0.038709
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.000718729	0.000538261	0.000538261
Brugia malayi	ecdysone receptor	0.000718729	0.000538261	0.000538261
Brugia malayi	Nuclear hormone receptor E75	0.000718729	0.000538261	0.000538261
Loa Loa (eye worm)	hypothetical protein	0.000718729	0.000538261	0.000538261
Loa Loa (eye worm)	hypothetical protein	0.00170784	0.00834677	0.00834677
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0215129	0.164697	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.00152365	0.0068927	0.0068927
Brugia malayi	hypothetical protein	0.000718729	0.000538261	0.000538261
Loa Loa (eye worm)	hypothetical protein	0.000804921	0.0012187	0.0012187
Loa Loa (eye worm)	hypothetical protein	0.00152365	0.0068927	0.0068927
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.00152365	0.0068927	0.0068927
Brugia malayi	steroid hormone receptor	0.00152365	0.0068927	0.0068927
Loa Loa (eye worm)	hypothetical protein	0.00152365	0.0068927	0.0068927
Loa Loa (eye worm)	hypothetical protein	0.000718729	0.000538261	0.000538261
Echinococcus granulosus	neuroligin	0.0215129	0.164697	0.164697
Brugia malayi	hypothetical protein	0.000718729	0.000538261	0.000538261
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.00152365	0.0068927	0.0068927
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.00198991	0.0105736	0.0105736
Loa Loa (eye worm)	hypothetical protein	0.000804921	0.0012187	0.0012187
Brugia malayi	nuclear hormone receptor family member odr-7	0.000718729	0.000538261	0.000538261
Brugia malayi	conserved hypotetical protein	0.000718729	0.000538261	0.000538261
Loa Loa (eye worm)	hypothetical protein	0.127321	1	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.00152365	0.0068927	0.0068927
Brugia malayi	nuclear hormone receptor family member nhr-6	0.000718729	0.000538261	0.000538261
Onchocerca volvulus		0.0215129	0.164697	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0215129	0.164697	0.164697
Brugia malayi	Nuclear hormone receptor-like 1	0.00152365	0.0068927	0.0068927
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.00152365	0.0068927	0.0068927
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.00152365	0.0068927	0.0068927
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0215129	0.164697	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.00152365	0.0068927	0.0068927
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.000718729	0.000538261	0.000538261
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.00152365	0.0068927	0.0068927
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.000718729	0.000538261	0.000538261
Echinococcus granulosus	thyroid hormone receptor alpha	0.000718729	0.000538261	0.000538261
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.00152365	0.0068927	0.0068927
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0215129	0.164697	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.000804921	0.0012187	0.0012187
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0215129	0.164697	0.164697
Schistosoma mansoni	nuclear receptor	0.000718729	0.000538261	0.000538261
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0215129	0.164697	0.164697
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.00152365	0.0068927	0.0068927
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.000718729	0.000538261	0.000538261
Brugia malayi	nuclear receptor RXR	0.000804921	0.0012187	0.0012187
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.00152365	0.0068927	0.0068927
Loa Loa (eye worm)	hypothetical protein	0.00152365	0.0068927	0.0068927
Schistosoma mansoni	voltage-gated potassium channel	0.00219391	0.0121841	0.0121841
Loa Loa (eye worm)	hypothetical protein	0.000718729	0.000538261	0.000538261
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0215129	0.164697	0.164697
Brugia malayi	Steroid receptor seven-up type 2	0.00152365	0.0068927	0.0068927
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.00152365	0.0068927	0.0068927
Onchocerca volvulus		0.0215129	0.164697	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0215129	0.164697	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.00152365	0.0068927	0.0068927
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.000718729	0.000538261	0.000538261
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.00152365	0.0068927	0.0068927
Loa Loa (eye worm)	hypothetical protein	0.0215129	0.164697	0.164697
Schistosoma mansoni	RAR-like nuclear receptor	0.00152365	0.0068927	0.0068927
Loa Loa (eye worm)	steroid hormone receptor	0.00152365	0.0068927	0.0068927
Echinococcus multilocularis	acetylcholinesterase	0.127321	1	1
Brugia malayi	Carboxylesterase family protein	0.0215129	0.164697	0.164697
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.000718729	0.000538261	0.000538261
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.00152365	0.0068927	0.0068927
Loa Loa (eye worm)	acetylcholinesterase 1	0.127321	1	1
Loa Loa (eye worm)	hypothetical protein	0.000804921	0.0012187	0.0012187
Brugia malayi	nuclear receptor NHR-67	0.000718729	0.000538261	0.000538261
Loa Loa (eye worm)	hypothetical protein	0.0215129	0.164697	0.164697
Loa Loa (eye worm)	hypothetical protein	0.0215129	0.164697	0.164697
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.000718729	0.000538261	0.000538261
Echinococcus granulosus	ecdysone induced protein 78C	0.00152365	0.0068927	0.0068927
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.00152365	0.0068927	0.0068927
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.00152365	0.0068927	0.0068927
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.000804921	0.0012187	0.0012187
Loa Loa (eye worm)	hypothetical protein	0.0215129	0.164697	0.164697
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.00152365	0.0068927	0.0068927
Loa Loa (eye worm)	hypothetical protein	0.000804921	0.0012187	0.0012187
Schistosoma mansoni	nuclear hormone receptor	0.00152365	0.0068927	0.0068927
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.00152365	0.0068927	0.0068927
Loa Loa (eye worm)	hypothetical protein	0.000718729	0.000538261	0.000538261
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0215129	0.164697	0.164697
Schistosoma mansoni	thyroid hormone receptor	0.00152365	0.0068927	0.0068927
Loa Loa (eye worm)	hypothetical protein	0.000718729	0.000538261	0.000538261
Brugia malayi	Carboxylesterase family protein	0.0215129	0.164697	0.164697
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.00152365	0.0068927	0.0068927
Brugia malayi	hypothetical protein	0.0215129	0.164697	0.164697
Loa Loa (eye worm)	carboxylesterase	0.0215129	0.164697	0.164697
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.00152365	0.0068927	0.0068927
Loa Loa (eye worm)	hypothetical protein	0.00152365	0.0068927	0.0068927
Brugia malayi	hypothetical protein	0.000804921	0.0012187	0.0012187
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.00152365	0.0068927	0.0068927
Echinococcus granulosus	Nuclear hormone receptor HR96	0.000718729	0.000538261	0.000538261
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.00152365	0.0068927	0.0068927
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.00152365	0.0068927	0.0068927
Schistosoma mansoni	steroid hormone receptor ad4bp	0.00152365	0.0068927	0.0068927
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.00152365	0.0068927	0.0068927
Loa Loa (eye worm)	carboxylesterase	0.0215129	0.164697	0.164697
Echinococcus granulosus	para nitrobenzyl esterase	0.0215129	0.164697	0.164697
Brugia malayi	Carboxylesterase family protein	0.0215129	0.164697	0.164697
Echinococcus multilocularis	FTZ F1 alpha	0.00152365	0.0068927	0.0068927
Brugia malayi	Nuclear hormone receptor-like 1	0.000804921	0.0012187	0.0012187
Loa Loa (eye worm)	hypothetical protein	0.000718729	0.000538261	0.000538261
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.000804921	0.0012187	0.0012187
Mycobacterium ulcerans	carboxylesterase, LipT	0.0215129	0.164697	0.5
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.000718729	0.000538261	0.000538261
Echinococcus multilocularis	ecdysone induced protein 78C	0.00152365	0.0068927	0.0068927
Echinococcus multilocularis	neuroligin	0.0215129	0.164697	0.164697
Loa Loa (eye worm)	nuclear receptor NHR-67	0.000718729	0.000538261	0.000538261
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.00152365	0.0068927	0.0068927
Schistosoma mansoni	coup transcription factor	0.00152365	0.0068927	0.0068927
Schistosoma mansoni	acetylcholinesterase	0.0215129	0.164697	0.164697
Brugia malayi	Carboxylesterase family protein	0.127321	1	1
Brugia malayi	orphan nuclear receptor NR2E1	0.000718729	0.000538261	0.000538261
Schistosoma mansoni	retinoic acid receptor RXR	0.00152365	0.0068927	0.0068927
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.00152365	0.0068927	0.0068927
Echinococcus granulosus	carboxylesterase 5A	0.127321	1	1
Brugia malayi	nuclear receptor RXR	0.000718729	0.000538261	0.000538261
Echinococcus multilocularis	nuclear receptor nhr 48	0.000718729	0.000538261	0.000538261
Brugia malayi	nuclear receptor NHR-88	0.000718729	0.000538261	0.000538261
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.000718729	0.000538261	0.000538261
Echinococcus granulosus	nuclear receptor nhr 48	0.000718729	0.000538261	0.000538261
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0215129	0.164697	0.5
Schistosoma mansoni	nuclear receptor	0.000718729	0.000538261	0.000538261
Brugia malayi	photoreceptor-specific nuclear receptor	0.00152365	0.0068927	0.0068927
Loa Loa (eye worm)	nuclear hormone receptor	0.000718729	0.000538261	0.000538261
Loa Loa (eye worm)	hypothetical protein	0.0215129	0.164697	0.164697
Brugia malayi	Nuclear hormone receptor E75	0.000718729	0.000538261	0.000538261
Onchocerca volvulus		0.00152365	0.0068927	0.038709
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.00152365	0.0068927	0.0068927
Echinococcus multilocularis	carboxylesterase 5A	0.127321	1	1
Brugia malayi	tailless protein	0.000718729	0.000538261	0.000538261
Echinococcus granulosus	Nuclear hormone receptor HR96	0.000718729	0.000538261	0.000538261
Echinococcus multilocularis	para nitrobenzyl esterase	0.0215129	0.164697	0.164697
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.000718729	0.000538261	0.000538261
Loa Loa (eye worm)	hypothetical protein	0.00152365	0.0068927	0.0068927
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.00198991	0.0105736	0.0105736

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 7.8 uM	Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium falciparum K1 by [3H]hypoxanthine incorporation assay	ChEMBL.	19781948
IC50 (functional)	= 8.4 uM	Antitrypanosomal activity against Trypanosoma brucei rhodesiense	ChEMBL.	19781948
IC50 (functional)	= 40.9 uM	Antitrypanosomal activity against Trypanosoma cruzi	ChEMBL.	19781948
IC50 (functional)	= 97.5 uM	Antileishmanial activity against Leishmania donovani axenic amastigotes	ChEMBL.	19781948

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Trypanosoma brucei gambiense		19781948
Plasmodium falciparum		19781948

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: CHEMBL594030

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 1088329