TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 406.487 | Formula: C20H26N10
H donors: 4 H acceptors: 0 LogP: 0.06 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: NC1=NC(N(C(=N1)N)c1cccc2c1cccc2N1C(=NC(=NC1(C)C)N)N)(C)C
InChi: 1S/C20H26N10/c1-19(2)27-15(21)25-17(23)29(19)13-9-5-8-12-11(13)7-6-10-14(12)30-18(24)26-16(22)28-20(30,3)4/h5-10H,1-4H3,(H4,21,23,25,27)(H4,22,24,26,28)
InChiKey: ZWDYDITXTVWKIG-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
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	0.0036	0.0141	0.0141
Mycobacterium leprae	Probable transmembrane transport protein	0.026	0.1831	0.4441
Schistosoma mansoni	hypothetical protein	0.0039	0.0168	0.0088
Brugia malayi	CHE-14 protein	0.0041	0.0179	0.0806
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0044	0.0055
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0097	0.0599	0.1185
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0333	0.0507
Echinococcus granulosus	Niemann Pick C1 protein	0.0136	0.0896	0.7777
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0061	0.0333	0.1723
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.005	0.0248	0.1441
Entamoeba histolytica	hypothetical protein	0.0035	0.0133	0.0222
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0165	0.1114	0.2494
Loa Loa (eye worm)	hypothetical protein	0.0246	0.1721	1
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	0.0036	0.0141	0.0141
Schistosoma mansoni	carbonic anhydrase-related	0.0061	0.0333	0.0507
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0333	0.1933
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0061	0.0333	0.1723
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0333	0.0507
Entamoeba histolytica	hypothetical protein	0.0035	0.0133	0.0222
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0179	0.1039
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0165	0.1114	0.6383
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0588	0.3419
Trichomonas vaginalis	conserved hypothetical protein	0.1346	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0333	0.0507
Echinococcus granulosus	carbonic anhydrase	0.0061	0.0333	0.2033
Echinococcus multilocularis	protein dispatched 1	0.0047	0.0222	0.0158
Trypanosoma brucei	carbonic anhydrase-like protein	0.0165	0.1114	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0165	0.1114	0.6475
Echinococcus granulosus	carbonic anhydrase II	0.0165	0.1114	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0041	0.0179	0.1039
Loa Loa (eye worm)	RNA binding protein	0.0061	0.0333	0.1932
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0061	0.0333	0.1723
Echinococcus multilocularis	Niemann Pick C1 protein	0.0095	0.0588	0.0806
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0061	0.0333	0.1723
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0044	0.0044
Onchocerca volvulus		0.0225	0.1568	1
Echinococcus multilocularis	carbonic anhydrase	0.0061	0.0333	0.0353
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0044	0.0254
Echinococcus multilocularis	carbonic anhydrase	0.0061	0.0333	0.0353
Schistosoma mansoni	carbonic anhydrase-related	0.0061	0.0333	0.0507
Leishmania major	carbonic anhydrase-like protein	0.0165	0.1114	0.266
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.0286	0.2021	0.2541
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.026	0.1831	0.2302
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.0333	0.1722
Echinococcus granulosus	expressed conserved protein	0.009	0.0545	0.4196
Plasmodium falciparum	inorganic anion exchanger, inorganic anion antiporter	0.0036	0.0141	0.4245
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0061	0.0333	0.1723
Toxoplasma gondii	hypothetical protein	0.0061	0.0333	1
Schistosoma mansoni	hypothetical protein	0.0061	0.0333	0.0507
Schistosoma mansoni	patched 1	0.0041	0.0179	0.0116
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.0558	0.4068	1
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0044	0.0254
Echinococcus multilocularis	sterol regulatory element binding protein	0.0041	0.0179	0.0081
Echinococcus multilocularis	Niemann Pick C1 protein	0.0136	0.0896	0.1351
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0333	0.1933
Echinococcus granulosus	carbonic anhydrase	0.0061	0.0333	0.2033
Schistosoma mansoni	carbonic anhydrase-related	0.0061	0.0333	0.0507
Mycobacterium ulcerans	carbonic anhydrase	0.0558	0.4068	0.4068
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0165	0.1114	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0133	0.0222
Entamoeba histolytica	hypothetical protein	0.0035	0.0133	0.0222
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0061	0.0333	0.1933
Loa Loa (eye worm)	hypothetical protein	0.0246	0.1721	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.0333	0.1932
Plasmodium vivax	sulfate transporter, putative	0.0036	0.0141	1
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0165	0.1114	0.6383
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0533	0.3878	0.4877
Mycobacterium ulcerans	integral membrane transporter	0.0036	0.0141	0.0141
Onchocerca volvulus	Putative sulfate transporter	0.0225	0.1568	1
Echinococcus granulosus	Protein patched homolog 1	0.0041	0.0179	0.0466
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0044	0.0055
Echinococcus multilocularis	expressed conserved protein	0.009	0.0545	0.0729
Loa Loa (eye worm)	carbonic anhydrase 3	0.0165	0.1114	0.6475
Schistosoma mansoni	carbonic anhydrase	0.0061	0.0333	0.0507
Schistosoma mansoni	hypothetical protein	0.0039	0.0168	0.0088
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.0333	0.1932
Echinococcus granulosus	sterol regulatory element binding protein	0.0041	0.0179	0.0466
Echinococcus multilocularis	protein patched	0.0041	0.0179	0.0081
Echinococcus multilocularis	carbonic anhydrase II	0.0165	0.1114	0.1738
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0333	0.0507
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0333	0.0507
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0044	0.0254
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.0333	0.0353
Echinococcus granulosus	carbonic anhydrase	0.0061	0.0333	0.2033
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0165	0.1114	1
Schistosoma mansoni	hypothetical protein	0.0039	0.0168	0.0088
Brugia malayi	Niemann-Pick C1 protein precursor	0.0095	0.0588	0.3247
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.1074	0.7953	1
Schistosoma mansoni	hypothetical protein	0.0039	0.0168	0.0088
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0095	0.0588	0.1353
Chlamydia trachomatis	sulfate transporter	0.0036	0.0141	1
Echinococcus multilocularis	carbonic anhydrase	0.0061	0.0333	0.0353
Entamoeba histolytica	carbonic anhydrase, putative	0.0558	0.4068	1
Plasmodium falciparum	carbonic anhydrase	0.0061	0.0333	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0095	0.0588	0.464
Brugia malayi	hypothetical protein	0.0035	0.0133	0.0533
Leishmania major	carbonic anhydrase family protein, putative	0.0558	0.4068	1
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0246	0.1721	0.4035
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0333	0.1933
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0044	0.0044
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0165	0.1114	0.2494
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0044	0.0044
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0246	0.1721	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0785	0.578	1
Brugia malayi	RNA binding protein	0.0061	0.0333	0.1722
Trichomonas vaginalis	conserved hypothetical protein	0.1346	1	1
Schistosoma mansoni	carbonic anhydrase	0.0558	0.4068	1
Brugia malayi	TAR-binding protein	0.0061	0.0333	0.1722
Echinococcus granulosus	tar DNA binding protein	0.0061	0.0333	0.2032

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: CHEMBL1196789

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1174660