TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 492.577 | Formula: C24H32N10O2
H donors: 4 H acceptors: 0 LogP: 0.44 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: NC1=NC(N(C(=N1)N)c1ccc(cc1)OCCOc1ccc(cc1)N1C(=NC(=NC1(C)C)N)N)(C)C
InChi: 1S/C24H32N10O2/c1-23(2)31-19(25)29-21(27)33(23)15-5-9-17(10-6-15)35-13-14-36-18-11-7-16(8-12-18)34-22(28)30-20(26)32-24(34,3)4/h5-12H,13-14H2,1-4H3,(H4,25,27,29,31)(H4,26,28,30,32)
InChiKey: CJOCZKGXTCGWHM-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
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0275	0.0058
Onchocerca volvulus		0.0041	0.0275	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0784	0.0896
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0784	0.0795
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0415	0.8752	1
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0784	0.0896
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0275	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.0627	0.0637
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0274	0.0057
Brugia malayi	beta-lactamase family protein	0.0041	0.0275	0.0279
Brugia malayi	dihydrofolate reductase family protein	0.0415	0.8752	0.8881
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0275	0.0058
Entamoeba histolytica	hypothetical protein	0.004	0.0274	0.5
Echinococcus granulosus	beta LACTamase domain containing family member	0.0041	0.0275	0.0001
Brugia malayi	hypothetical protein	0.004	0.0274	0.0278
Leishmania major	hypothetical protein, conserved	0.0041	0.0275	0.0932
Echinococcus multilocularis	neuropeptide receptor A26	0.047	1	1
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0415	0.8752	1
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.0275	0.0932
Loa Loa (eye worm)	beta-lactamase	0.0041	0.0275	0.0314
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0784	0.0654
Entamoeba histolytica	hypothetical protein	0.004	0.0274	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0275	0.5
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0041	0.0275	0.0001
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0159	0.295	1
Brugia malayi	RNA binding protein	0.0063	0.0784	0.0795
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0041	0.0275	0.0279
Chlamydia trachomatis	dihydrofolate reductase	0.0415	0.8752	0.5
Toxoplasma gondii	ABC1 family protein	0.0041	0.0275	0.0932
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0259	0.5214	0.5826
Brugia malayi	beta-lactamase	0.0041	0.0275	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0275	0.0314
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0159	0.295	1
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0159	0.295	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0226	0.0258
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0159	0.295	1
Trichomonas vaginalis	esterase, putative	0.0041	0.0275	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0784	0.0896
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0226	0.0229
Echinococcus granulosus	geminin	0.0191	0.3672	0.3493
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0275	0.0314
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0784	0.0654
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0415	0.8752	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0275	0.0314
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.0275	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.0627	0.0717
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0159	0.295	1
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0159	0.295	1
Echinococcus granulosus	neuropeptide receptor A26	0.047	1	1
Echinococcus multilocularis	geminin	0.0191	0.3672	0.3493
Echinococcus granulosus	dihydrofolate reductase	0.0415	0.8752	0.8717
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.0275	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0275	0.0314
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0275	0.0932
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0275	0.0932
Schistosoma mansoni	hypothetical protein	0.004	0.0274	0.0057
Onchocerca volvulus		0.0041	0.0275	0.5
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0627	0.0717
Loa Loa (eye worm)	MH2 domain-containing protein	0.0134	0.2397	0.2739
Loa Loa (eye worm)	dihydrofolate reductase	0.0415	0.8752	1
Entamoeba histolytica	hypothetical protein	0.004	0.0274	0.5
Schistosoma mansoni	hypothetical protein	0.0191	0.3672	0.4042
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0784	0.0524
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0275	0.0932
Echinococcus multilocularis	dihydrofolate reductase	0.0415	0.8752	0.8717
Entamoeba histolytica	hypothetical protein	0.004	0.0274	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0784	0.0654
Loa Loa (eye worm)	transcription factor SMAD2	0.0134	0.2397	0.2739
Brugia malayi	beta-lactamase family protein	0.0041	0.0275	0.0279
Brugia malayi	Serotonin receptor	0.0464	0.9854	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0784	0.0654
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.0627	0.0637
Schistosoma mansoni	hypothetical protein	0.0191	0.3672	0.4042
Onchocerca volvulus		0.0041	0.0275	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0275	0.0314
Brugia malayi	TAR-binding protein	0.0063	0.0784	0.0795
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0275	0.0314
Brugia malayi	MH2 domain containing protein	0.0134	0.2397	0.2433
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0275	0.5
Schistosoma mansoni	dihydrofolate reductase	0.0415	0.8752	1
Echinococcus multilocularis	neuropeptide s receptor	0.047	1	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0041	0.0275	0.0314
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0784	0.0654
Brugia malayi	Dihydrofolate reductase	0.0415	0.8752	0.8881
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0784	0.0524

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: CHEMBL1191710

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 1162715