TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 406.824 | Formula: C17H19ClN6O4
H donors: 1 H acceptors: 5 LogP: 3.36 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2c(NCCCCn3ccnc3[N+](=O)[O-])nc(nc2cc1OC)Cl
InChi: 1S/C17H19ClN6O4/c1-27-13-9-11-12(10-14(13)28-2)21-16(18)22-15(11)19-5-3-4-7-23-8-6-20-17(23)24(25)26/h6,8-10H,3-5,7H2,1-2H3,(H,19,21,22)
InChiKey: OBVWNQOOPRWIKQ-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	Zn-finger in Ran binding protein and others containing protein	0.0328	0.2227	0.34
Brugia malayi	brahma associated protein 60 kDa	0.0922	0.649	1
Leishmania major	hypothetical protein, conserved	0.0328	0.2227	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0076	0.0416	0.0387
Onchocerca volvulus		0.0328	0.2227	0.1697
Loa Loa (eye worm)	CYP4Cod1	0.0025	0.0051	0.0079
Brugia malayi	Cytochrome P450 family protein	0.0025	0.0051	0.0033
Onchocerca volvulus		0.0922	0.649	1
Chlamydia trachomatis	DNA topoisomerase I	0.0922	0.649	0.5
Chlamydia trachomatis	SWIB complex protein	0.0922	0.649	0.5
Brugia malayi	SWIB/MDM2 domain containing protein	0.0922	0.649	1
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0328	0.2227	0.1697
Loa Loa (eye worm)	cytochrome P450 family protein	0.0025	0.0051	0.0079
Trypanosoma cruzi	WLM domain containing protein, putative	0.0328	0.2227	1
Schistosoma mansoni	TRABID protein (C64 family)	0.0328	0.2227	0.34
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0922	0.649	1
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0328	0.2227	0.2203
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0922	0.649	0.6479
Schistosoma mansoni	hypothetical protein	0.0922	0.649	1
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0025	0.0051	0.5
Echinococcus multilocularis	SWI:SNF matrix associated	0.0922	0.649	0.6479
Leishmania major	hypothetical protein, conserved	0.0328	0.2227	1
Echinococcus granulosus	ring and YY1 binding protein	0.0328	0.2227	0.2203
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0328	0.2227	0.34
Brugia malayi	YY1-associated factor 2	0.0328	0.2227	0.34
Loa Loa (eye worm)	hypothetical protein	0.0328	0.2227	0.3431
Brugia malayi	Cytochrome P450 family protein	0.0025	0.0051	0.0033
Schistosoma mansoni	hypothetical protein	0.0328	0.2227	0.34
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0328	0.2227	1
Trypanosoma brucei	hypothetical protein, conserved	0.0328	0.2227	1
Leishmania major	hypothetical protein, conserved	0.0328	0.2227	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0328	0.2227	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0344	0.0531
Echinococcus multilocularis	ring and YY1 binding protein	0.0328	0.2227	0.2203
Leishmania major	hypothetical protein, conserved	0.0328	0.2227	1
Loa Loa (eye worm)	hypothetical protein	0.0328	0.2227	0.3431
Trypanosoma brucei	hypothetical protein, conserved	0.0328	0.2227	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0328	0.2227	1
Schistosoma mansoni	voltage-gated potassium channel	0.0083	0.0466	0.0675
Echinococcus granulosus	zinc finger protein Ran binding	0.0328	0.2227	0.2203
Loa Loa (eye worm)	cytochrome P450 family protein	0.0025	0.0051	0.0079
Trichomonas vaginalis	conserved hypothetical protein	0.0922	0.649	1
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0922	0.649	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0328	0.2227	1
Brugia malayi	brahma associated protein 60 kDa	0.0922	0.649	1
Loa Loa (eye worm)	brahma associated protein	0.0922	0.649	1
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0328	0.2227	1
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0922	0.649	1
Plasmodium vivax	hypothetical protein, conserved	0.0922	0.649	0.5
Onchocerca volvulus		0.0328	0.2227	0.1697
Loa Loa (eye worm)	hypothetical protein	0.0328	0.2227	0.3431
Trypanosoma cruzi	hypothetical protein, conserved	0.0328	0.2227	1
Onchocerca volvulus		0.0328	0.2227	0.1697
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0328	0.2227	1
Loa Loa (eye worm)	hypothetical protein	0.0328	0.2227	0.3431
Trypanosoma cruzi	hypothetical protein, conserved	0.0328	0.2227	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0922	0.649	0.6479
Loa Loa (eye worm)	hypothetical protein	0.0207	0.1355	0.2088
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0076	0.0416	0.0641
Schistosoma mansoni	RNA binding protein	0.0328	0.2227	0.34
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0328	0.2227	0.34
Onchocerca volvulus		0.0328	0.2227	0.1697
Echinococcus granulosus	SWI:SNF matrix associated	0.0922	0.649	0.6479
Loa Loa (eye worm)	hypothetical protein	0.0022	0.003	0.0047
Schistosoma mansoni	hypothetical protein	0.0922	0.649	1
Echinococcus granulosus	Zinc finger RanBP2 type	0.0328	0.2227	0.2203
Schistosoma mansoni	brg-1 associated factor	0.0922	0.649	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0922	0.649	0.6479
Echinococcus multilocularis	zinc finger protein Ran binding	0.0328	0.2227	0.2203
Schistosoma mansoni	cellular tumor antigen P53	0.0207	0.1355	0.2051
Trypanosoma cruzi	WLM domain containing protein, putative	0.0328	0.2227	1
Schistosoma mansoni	zinc finger protein	0.0328	0.2227	0.34
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0922	0.649	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0076	0.0416	0.0387
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0328	0.2227	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0328	0.2227	0.34
Schistosoma mansoni	fusion	0.0328	0.2227	0.34
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0328	0.2227	1
Schistosoma mansoni	hypothetical protein	0.0922	0.649	1
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0328	0.2227	0.2203
Loa Loa (eye worm)	hypothetical protein	0.0328	0.2227	0.3431
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0922	0.649	0.5
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0922	0.649	0.6479
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0922	0.649	1
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0328	0.2227	0.2203
Leishmania major	hypothetical protein, conserved	0.0328	0.2227	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0076	0.0416	0.0598
Schistosoma mansoni	voltage-gated potassium channel	0.0083	0.0466	0.0675

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

ChEMBL: CHEMBL1963453

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 1614033