TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 266.684 | Formula: C11H11ClN4O2
H donors: 1 H acceptors: 3 LogP: 1.07 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc2c(c1)[n+]([O-])nc([n+]2[O-])NC1CCC1
InChi: 1S/C11H11ClN4O2/c12-7-4-5-9-10(6-7)16(18)14-11(15(9)17)13-8-2-1-3-8/h4-6,8H,1-3H2,(H,13,14)
InChiKey: GXARJRPWILWBNX-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-lactamase family protein	0.0041	0.0253	0.0253
Brugia malayi	Pre-SET motif family protein	0.0237	0.7321	0.7321
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.0174	0.0174
Mycobacterium leprae	Probable lipase LipE	0.0041	0.0253	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0057	0.0821	0.0821
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0253	0.0253
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0821	0.0821
Onchocerca volvulus		0.027	0.8502	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0262	0.822	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0041	0.0253	1
Entamoeba histolytica	hypothetical protein	0.0041	0.0252	0.5
Onchocerca volvulus		0.0041	0.0253	0.0297
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0253	0.0253
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0253	0.5
Schistosoma mansoni	hypothetical protein	0.0041	0.0252	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0174	0.0174
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0057	0.0821	0.0821
Entamoeba histolytica	hypothetical protein	0.0041	0.0252	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0253	0.0253
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0253	0.0253
Brugia malayi	beta-lactamase	0.0041	0.0253	0.0253
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0253	1
Onchocerca volvulus		0.0041	0.0253	0.0297
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0253	0.0253
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.0253	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.0252	0.9956
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0253	0.0253
Leishmania major	hypothetical protein, conserved	0.0041	0.0253	0.5
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0237	0.7321	0.7321
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.0252	0.0252
Brugia malayi	MH2 domain containing protein	0.0136	0.3677	0.3677
Toxoplasma gondii	ABC1 family protein	0.0041	0.0253	1
Onchocerca volvulus		0.0041	0.0253	0.0297
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0041	0.0253	0.0253
Brugia malayi	beta-lactamase family protein	0.0041	0.0253	0.0253
Mycobacterium leprae	conserved hypothetical protein	0.0041	0.0253	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0136	0.3677	0.3677
Trichomonas vaginalis	set domain proteins, putative	0.027	0.8502	0.8463
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0057	0.0821	0.0821
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0041	0.0253	0.0253
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0253	0.0253
Loa Loa (eye worm)	beta-lactamase	0.0041	0.0253	0.0253
Schistosoma mansoni	hypothetical protein	0.0039	0.0174	0.0174
Loa Loa (eye worm)	MH2 domain-containing protein	0.0136	0.3677	0.3677
Entamoeba histolytica	hypothetical protein	0.0041	0.0252	0.5
Echinococcus granulosus	beta LACTamase domain containing family member	0.0041	0.0253	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.0252	0.9956
Entamoeba histolytica	hypothetical protein	0.0041	0.0252	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0253	0.0253
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0253	0.5
Brugia malayi	hypothetical protein	0.0041	0.0252	0.0252

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC90 (functional)	< 0.12 ug ml-1	Antitubercular activity against Mycobacterium tuberculosis H37Rv incubated for 10 days in anaerobic condition followed by 48 hrs incubation in aerobic condition by LORA assay	ChEMBL.	22691154
MIC90 (functional)	< 0.12 ug ml-1	Antitubercular activity against Mycobacterium tuberculosis H37Rv isolate ITR after 7 days by luminescence spectrometry	ChEMBL.	22691154
MIC90 (functional)	= 0.15 ug ml-1	Antitubercular activity against Mycobacterium tuberculosis H37Rv isolate SRI after 5 days by resazurin-based microplate assay	ChEMBL.	22691154

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: CHEMBL2153331

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1723443