TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 327.725 | Formula: C15H10ClN5O2
H donors: 0 H acceptors: 4 LogP: 1.37 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc2c(c1)n1ncc(c1n[n+]2[O-])C(=O)c1cccn1C
InChi: 1S/C15H10ClN5O2/c1-19-6-2-3-12(19)14(22)10-8-17-20-13-7-9(16)4-5-11(13)21(23)18-15(10)20/h2-8H,1H3
InChiKey: OTIWJUXTMFQKKI-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	beta-NAC-like protein	0.0039	0.0052	0.0067
Schistosoma mansoni	organic anion transporter	0.0062	0.0208	0.0265
Mycobacterium ulcerans	beta-lactamase	0.0236	0.1389	0.1473
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0391	0.0498
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0048	0.0112	0.0323
Plasmodium vivax	basic transcription factor 3b, putative	0.0039	0.0052	0.0376
Mycobacterium ulcerans	lipase LipD	0.0236	0.1389	0.1473
Brugia malayi	sodium-independent organic anion transporter family protein	0.0062	0.0208	0.0265
Mycobacterium ulcerans	glutaminase	0.1192	0.7847	1
Schistosoma mansoni	agrin	0.0042	0.0076	0.0096
Plasmodium vivax	hypothetical protein, conserved	0.0236	0.1389	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0236	0.1389	0.1715
Echinococcus granulosus	intermediate filament protein	0.0089	0.0391	0.1122
Onchocerca volvulus	Putative organic anion transporter	0.0062	0.0208	0.1371
Loa Loa (eye worm)	TAR-binding protein	0.0136	0.0713	0.0908
Loa Loa (eye worm)	hypothetical protein	0.0246	0.145	0.1848
Echinococcus granulosus	geminin	0.0546	0.3483	1
Trichomonas vaginalis	glutaminase, putative	0.1192	0.7847	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0083	0.0106
Trypanosoma cruzi	hypothetical protein, conserved	0.0236	0.1389	1
Schistosoma mansoni	hypothetical protein	0.0058	0.0181	0.023
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0208	0.0265
Loa Loa (eye worm)	sodium-independent organic anion transporter	0.0062	0.0208	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1389	0.177
Schistosoma mansoni	intermediate filament proteins	0.0089	0.0391	0.0498
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.0083	0.046
Brugia malayi	RNA, U transporter 1	0.0088	0.0385	0.049
Trichomonas vaginalis	D-aminoacylase, putative	0.0236	0.1389	0.1715
Loa Loa (eye worm)	agrin synaptic family protein	0.0042	0.0076	0.0096
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0046	0.0105	0.0622
Trichomonas vaginalis	esterase, putative	0.0236	0.1389	0.1715
Echinococcus granulosus	survival motor neuron protein 1	0.0246	0.145	0.4164
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0076	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0076	0.0096
Brugia malayi	beta-lactamase family protein	0.0236	0.1389	0.177
Echinococcus granulosus	transcription factor btf3	0.0039	0.0052	0.015
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.0713	0.0908
Mycobacterium leprae	Probable lipase LipE	0.0236	0.1389	1
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.0713	0.0908
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0042	0.0076	0.0544
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.0713	0.0908
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0208	0.0265
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.005	0.013	0.0165
Onchocerca volvulus		0.0062	0.0208	0.1371
Schistosoma mansoni	transcription factor btf3	0.0039	0.0052	0.0067
Loa Loa (eye worm)	ICD-1 protein	0.0039	0.0052	0.0067
Loa Loa (eye worm)	beta-lactamase	0.0236	0.1389	0.177
Schistosoma mansoni	hypothetical protein	0.005	0.013	0.0165
Onchocerca volvulus		0.0042	0.0076	0.0406
Schistosoma mansoni	survival motor neuron protein	0.005	0.013	0.0165
Echinococcus multilocularis	lamin	0.0089	0.0391	0.1122
Mycobacterium ulcerans	multidrug-transport integral membrane protein Mmr	0.0217	0.1261	0.1304
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0042	0.0076	0.0096
Plasmodium falciparum	basic transcription factor 3b, putative	0.0039	0.0052	0.6109
Leishmania major	hypothetical protein, conserved	0.0236	0.1389	1
Brugia malayi	prostaglandin transporter	0.0062	0.0208	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1389	0.177
Loa Loa (eye worm)	hypothetical protein	0.0041	0.007	0.0089
Echinococcus granulosus	snurportin 1	0.033	0.2019	0.5798
Echinococcus multilocularis	agrin	0.0042	0.0076	0.0217
Mycobacterium ulcerans	multidrugs-transport integral membrane protein Mmr-like	0.0863	0.5625	0.7067
Trichomonas vaginalis	chromobox protein, putative	0.0046	0.0105	0.0068
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0043	0.0081	0.0232
Onchocerca volvulus		0.0236	0.1389	1
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0083	0.0039
Mycobacterium ulcerans	esterase/lipase LipP	0.0236	0.1389	0.1473
Echinococcus multilocularis	chromobox protein 1	0.0077	0.0311	0.0894
Echinococcus multilocularis	Solute carrier organic anion transporter family	0.0062	0.0208	0.0596
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0083	0.0039
Mycobacterium tuberculosis	Class a beta-lactamase BlaC	0.0149	0.0795	0.0537
Onchocerca volvulus		0.0089	0.0391	0.271
Trichomonas vaginalis	chromobox protein, putative	0.0077	0.0311	0.0332
Onchocerca volvulus		0.005	0.013	0.0802
Schistosoma mansoni	lamin	0.0089	0.0391	0.0498
Plasmodium falciparum	histone acetyltransferase GCN5	0.0044	0.0086	1
Mycobacterium tuberculosis	Probable hydrolase	0.0236	0.1389	0.1147
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0162	0.0883	0.1125
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0236	0.1389	0.3989
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0043	0.0081	0.0232
Echinococcus granulosus	tar DNA binding protein	0.0136	0.0713	0.2047
Trichomonas vaginalis	penicillin-binding protein, putative	0.0236	0.1389	0.1715
Toxoplasma gondii	protease inhibitor PI2	0.0042	0.0076	0.0544
Echinococcus multilocularis	follistatin	0.0042	0.0076	0.0217
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0048	0.0112	0.0077
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.033	0.2019	0.2573
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0081	0.0103
Brugia malayi	hypothetical protein	0.0062	0.0208	0.0265
Loa Loa (eye worm)	glutaminase 2	0.1192	0.7847	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0236	0.1389	0.1147
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0208	0.0265
Onchocerca volvulus		0.0062	0.0208	0.1371
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0076	0.0096
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0162	0.0883	0.2535
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0236	0.1389	0.1147
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0042	0.0076	0.0544
Brugia malayi	RNA binding protein	0.0136	0.0713	0.0908
Mycobacterium tuberculosis	Conserved protein	0.0236	0.1389	0.1147
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0157	0.0852	0.2448
Echinococcus multilocularis	musashi	0.0089	0.0391	0.1122
Schistosoma mansoni	hypothetical protein	0.033	0.2019	0.2573
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0089	0.0391	0.0498
Mycobacterium ulcerans	class a beta-lactamase, BlaC	0.0149	0.0795	0.0689
Mycobacterium tuberculosis	Probable lipase LipD	0.0236	0.1389	0.1147
Toxoplasma gondii	transporter, major facilitator family protein	0.0062	0.0208	0.1494
Trichomonas vaginalis	chromobox protein, putative	0.0077	0.0311	0.0332
Loa Loa (eye worm)	intermediate filament protein	0.0089	0.0391	0.0498
Trypanosoma cruzi	hypothetical protein, conserved	0.0236	0.1389	1
Trypanosoma brucei	transcription factor BTF3, putative	0.0039	0.0052	0.0376
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1389	0.177
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1389	0.177
Loa Loa (eye worm)	RNA binding protein	0.0136	0.0713	0.0908
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0048	0.0112	0.0809
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0208	0.0265
Schistosoma mansoni	hypothetical protein	0.0546	0.3483	0.4438
Mycobacterium tuberculosis	Conserved protein	0.0236	0.1389	0.1147
Brugia malayi	Intermediate filament tail domain containing protein	0.0089	0.0391	0.0498
Brugia malayi	SPARC precursor	0.0042	0.0076	0.0096
Mycobacterium leprae	conserved hypothetical protein	0.0236	0.1389	1
Echinococcus multilocularis	transcription factor btf3	0.0039	0.0052	0.015
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1389	0.177
Loa Loa (eye worm)	heterochromatin protein 1	0.0077	0.0311	0.0397
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0042	0.0076	0.0096
Echinococcus multilocularis	snurportin 1	0.033	0.2019	0.5798
Brugia malayi	cytoplasmic intermediate filament protein	0.0048	0.0113	0.0143
Brugia malayi	beta-lactamase family protein	0.0236	0.1389	0.177
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0236	0.1389	0.1147
Trichomonas vaginalis	D-aminoacylase, putative	0.0236	0.1389	0.1715
Schistosoma mansoni	chromobox protein	0.0077	0.0311	0.0397
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0042	0.0076	0.0096
Brugia malayi	secreted modular calcium-binding protein 1	0.0042	0.0076	0.0096
Echinococcus multilocularis	geminin	0.0546	0.3483	1
Toxoplasma gondii	NAC domain-containing protein	0.0039	0.0052	0.0376
Schistosoma mansoni	hypothetical protein	0.0546	0.3483	0.4438
Onchocerca volvulus		0.0062	0.0208	0.1371
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0208	0.0265
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0042	0.0076	0.0096
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0048	0.0112	0.0809
Entamoeba histolytica	acetyltransferase, GNAT family	0.0044	0.0086	1
Brugia malayi	TAR-binding protein	0.0136	0.0713	0.0908
Echinococcus granulosus	lamin dm0	0.0089	0.0391	0.1122
Brugia malayi	Heterochromatin protein 1	0.0077	0.0311	0.0397
Echinococcus granulosus	lamin	0.0089	0.0391	0.1122
Brugia malayi	acetyltransferase, GNAT family protein	0.0162	0.0883	0.1125
Onchocerca volvulus		0.0089	0.0391	0.271
Schistosoma mansoni	follistatin	0.0042	0.0076	0.0096
Echinococcus granulosus	Solute carrier organic anion transporter family	0.0062	0.0208	0.0596
Onchocerca volvulus	Putative organic anion transporter	0.0062	0.0208	0.1371
Brugia malayi	chromobox protein homolog 3	0.0043	0.0083	0.0106
Loa Loa (eye worm)	acetyltransferase	0.0162	0.0883	0.1125
Trichomonas vaginalis	chromobox protein, putative	0.0046	0.0105	0.0068
Brugia malayi	hypothetical protein	0.0246	0.145	0.1848
Echinococcus granulosus	beta LACTamase domain containing family member	0.0236	0.1389	0.3989
Echinococcus granulosus	agrin	0.0042	0.0076	0.0217
Onchocerca volvulus	Putative organic anion transporter	0.0062	0.0208	0.1371
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0236	0.1389	0.177
Echinococcus multilocularis	chromobox protein 1	0.0077	0.0311	0.0894
Trypanosoma brucei	hypothetical protein, conserved	0.0236	0.1389	1
Schistosoma mansoni	organic anion transporter	0.0062	0.0208	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0208	0.0265
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0048	0.0112	0.0809
Onchocerca volvulus		0.0062	0.0208	0.1371
Echinococcus granulosus	chromobox protein 1	0.0077	0.0311	0.0894
Mycobacterium tuberculosis	Probable lipase LipE	0.0236	0.1389	0.1147
Echinococcus granulosus	organic anion transporting polypeptide 30B	0.0062	0.0208	0.0596
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0048	0.0113	0.0143
Echinococcus multilocularis	organic anion transporting polypeptide 30B	0.0062	0.0208	0.0596
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.0713	0.0908
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0048	0.0112	0.0077
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0042	0.0076	0.0544
Toxoplasma gondii	ABC1 family protein	0.0236	0.1389	1
Onchocerca volvulus		0.0236	0.1389	1
Brugia malayi	glutaminase DH11.1	0.1192	0.7847	1
Brugia malayi	hypothetical protein	0.0062	0.0208	0.0265
Giardia lamblia	Histone acetyltransferase GCN5	0.0044	0.0086	0.5
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1389	0.177
Schistosoma mansoni	lamin	0.0089	0.0391	0.0498
Schistosoma mansoni	glutaminase	0.1192	0.7847	1
Echinococcus granulosus	follistatin	0.0042	0.0076	0.0217
Trypanosoma brucei	beta lactamase	0.0071	0.0273	0.1967
Mycobacterium tuberculosis	Conserved protein	0.0236	0.1389	0.1147
Loa Loa (eye worm)	glutaminase	0.1192	0.7847	1
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.0713	0.0908
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0076	0.0096
Brugia malayi	intermediate filament protein	0.0089	0.0391	0.0498
Echinococcus multilocularis	lamin dm0	0.0089	0.0391	0.1122
Loa Loa (eye worm)	hypothetical protein	0.0034	0.002	0.0025
Onchocerca volvulus		0.0236	0.1389	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0236	0.1389	0.1473
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0042	0.0076	0.0544
Loa Loa (eye worm)	hypothetical protein	0.0041	0.007	0.0089
Mycobacterium tuberculosis	Probable esterase LipL	0.0236	0.1389	0.1147
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0136	0.0713	0.0908
Echinococcus multilocularis	survival motor neuron protein 1	0.0246	0.145	0.4164
Brugia malayi	sodium-independent organic anion transporter family protein	0.0062	0.0208	0.0265
Echinococcus multilocularis	tar DNA binding protein	0.0136	0.0713	0.2047
Echinococcus multilocularis	expressed protein	0.0042	0.0076	0.0217
Trichomonas vaginalis	D-aminoacylase, putative	0.0236	0.1389	0.1715
Brugia malayi	RNA recognition motif domain containing protein	0.0136	0.0713	0.0908
Loa Loa (eye worm)	hypothetical protein	0.0087	0.038	0.0484
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0236	0.1389	0.177
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0236	0.1389	0.177
Mycobacterium ulcerans	hypothetical protein	0.0236	0.1389	0.1473
Echinococcus granulosus	chromobox protein 1	0.0077	0.0311	0.0894
Onchocerca volvulus		0.0062	0.0208	0.1371
Brugia malayi	sodium-independent organic anion transporter family protein	0.0062	0.0208	0.0265
Schistosoma mansoni	chromobox protein	0.0077	0.0311	0.0397
Brugia malayi	beta-lactamase	0.0236	0.1389	0.177
Trypanosoma cruzi	MFS transporter, putative	0.0062	0.0208	0.1161
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0236	0.1389	0.177
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0208	0.0265
Loa Loa (eye worm)	kazal-type serine protease inhibitor domain-containing protein	0.0042	0.0076	0.0096

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 5202 nM	Displacement of [3H]flumazenil from GABAA/BzR complex in bovine cerebral cortex membrane	ChEMBL.	18325771

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 514208