TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 321.802 | Formula: C16H20ClN3O2
H donors: 1 H acceptors: 3 LogP: 2.66 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OCC1CCCN(C1)Cc1onc(n1)Cc1ccccc1Cl
InChi: 1S/C16H20ClN3O2/c17-14-6-2-1-5-13(14)8-15-18-16(22-19-15)10-20-7-3-4-12(9-20)11-21/h1-2,5-6,12,21H,3-4,7-11H2
InChiKey: IDURMONQMFKYQB-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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	PAB1-binding protein , putative	0.01	0.1055	1
Onchocerca volvulus		0.0074	0.0438	0.1593
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0257	0.4823	1
Brugia malayi	Latrophilin receptor protein 2	0.0065	0.0213	0.0012
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.0438	0.5
Loa Loa (eye worm)	hypothetical protein	0.014	0.2011	0.4169
Mycobacterium ulcerans	beta-lactamase	0.0074	0.0438	0.5
Loa Loa (eye worm)	hypothetical protein	0.0171	0.2748	0.5697
Brugia malayi	TAR-binding protein	0.0257	0.4823	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0438	0.0907
Mycobacterium ulcerans	hypothetical protein	0.0074	0.0438	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.0438	0.5
Mycobacterium ulcerans	esterase/lipase LipP	0.0074	0.0438	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.0438	0.0907
Plasmodium falciparum	ataxin-2 like protein, putative	0.01	0.1055	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0065	0.0213	0.0441
Brugia malayi	RNA recognition motif domain containing protein	0.0257	0.4823	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.1447	0.3
Brugia malayi	hypothetical protein	0.0232	0.422	0.8694
Loa Loa (eye worm)	RNA binding protein	0.0257	0.4823	1
Brugia malayi	beta-lactamase family protein	0.0074	0.0438	0.0499
Schistosoma mansoni	hypothetical protein	0.0065	0.0213	0.0441
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0438	0.0907
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0213	0.0441
Echinococcus granulosus	tar DNA binding protein	0.0257	0.4823	0.6079
Toxoplasma gondii	LsmAD domain-containing protein	0.01	0.1055	1
Schistosoma mansoni	hypothetical protein	0.0065	0.0213	0.0441
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0438	0.0907
Brugia malayi	MH2 domain containing protein	0.0116	0.1447	0.2686
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0438	0.0907
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0204	0.356	0.7264
Schistosoma mansoni	hypothetical protein	0.0065	0.0213	0.0441
Plasmodium falciparum	ataxin-2 like protein, putative	0.01	0.1055	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.4823	1
Mycobacterium leprae	Probable lipase LipE	0.0074	0.0438	0.5
Plasmodium vivax	ataxin-2 like protein, putative	0.01	0.1055	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0074	0.0438	0.0499
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.0438	0.5
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0074	0.0438	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.0438	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.4823	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0074	0.0438	0.0907
Trichomonas vaginalis	esterase, putative	0.0074	0.0438	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0074	0.0438	0.5
Echinococcus multilocularis	survival motor neuron protein 1	0.0232	0.422	0.5284
Brugia malayi	beta-lactamase	0.0074	0.0438	0.0499
Echinococcus granulosus	survival motor neuron protein 1	0.0232	0.422	0.5284
Onchocerca volvulus		0.0074	0.0438	0.1593
Schistosoma mansoni	hypothetical protein	0.0065	0.0213	0.0441
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0065	0.0213	0.0012
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0074	0.0438	0.0297
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.4823	1
Trypanosoma brucei	PAB1-binding protein , putative	0.01	0.1055	1
Loa Loa (eye worm)	hypothetical protein	0.0232	0.422	0.875
Onchocerca volvulus		0.0171	0.2748	1
Brugia malayi	latrophilin 2 splice variant baaae	0.014	0.2011	0.3907
Loa Loa (eye worm)	hypothetical protein	0.01	0.1055	0.2187
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.1447	0.3
Schistosoma mansoni	hypothetical protein	0.014	0.2011	0.4169
Echinococcus granulosus	beta LACTamase domain containing family member	0.0074	0.0438	0.0297
Echinococcus granulosus	tumor protein p63	0.0381	0.7796	1
Loa Loa (eye worm)	beta-lactamase	0.0074	0.0438	0.0907
Trypanosoma cruzi	PAB1-binding protein , putative	0.01	0.1055	1
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.4823	1
Mycobacterium ulcerans	lipase LipD	0.0074	0.0438	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0204	0.356	0.7264
Brugia malayi	hypothetical protein	0.0171	0.2748	0.5504
Loa Loa (eye worm)	hypothetical protein	0.0204	0.356	0.7381
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.0438	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0257	0.4823	1
Echinococcus multilocularis	tumor protein p63	0.0381	0.7796	1
Onchocerca volvulus		0.0074	0.0438	0.1593
Brugia malayi	RNA binding protein	0.0257	0.4823	1
Echinococcus multilocularis	tar DNA binding protein	0.0257	0.4823	0.6079
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.4823	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0438	0.0907
Brugia malayi	hypothetical protein	0.01	0.1055	0.1836
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.0438	0.0907
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0438	0.0907
Brugia malayi	beta-lactamase family protein	0.0074	0.0438	0.0499
Leishmania major	hypothetical protein, conserved	0.01	0.1055	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0204	0.356	0.7381

Activities

No activities found for this compound.

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

Search by Saint Jude

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 729331