TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 165.196 | Formula: C7H11N5
H donors: 3 H acceptors: 2 LogP: 0.38 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Nc1cc(NC2CC2)nc(n1)N
InChi: 1S/C7H11N5/c8-5-3-6(10-4-1-2-4)12-7(9)11-5/h3-4H,1-2H2,(H5,8,9,10,11,12)
InChiKey: CKTZEFFCNOTJOP-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
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0163	0.0173
Loa Loa (eye worm)	cysteine protease	0.0017	0.0383	0.0408
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0383	1
Leishmania major	cathepsin L-like protease	0.0065	0.3373	1
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0014	0.0196	0.0196
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0383	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.0383	0.0383
Onchocerca volvulus		0.0029	0.1136	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0383	0.0383
Plasmodium falciparum	thioredoxin reductase	0.0048	0.2299	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.3373	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0048	0.2299	0.2299
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1103	0.1175
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0109	0.6118	0.8837
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0017	0.0352	0.5
Plasmodium falciparum	glutathione reductase	0.0048	0.2299	1
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0017	0.0352	0.0352
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0383	1
Echinococcus granulosus	muscleblind protein	0.0162	0.9385	0.9385
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0383	1
Echinococcus multilocularis	cysteine protease	0.0017	0.0383	0.0383
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0122	0.6877	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0075	0.3963	0.3963
Echinococcus multilocularis	musashi	0.0029	0.1136	0.1136
Echinococcus granulosus	cathepsin l1	0.0011	0.0031	0.0031
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.2142	0.2142
Echinococcus multilocularis	cysteine protease	0.0017	0.0383	0.0383
Onchocerca volvulus	Cathepsin F homolog	0.0017	0.0383	0.3372
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.3373	1
Trichomonas vaginalis	glutathione reductase, putative	0.0017	0.0352	0.911
Brugia malayi	Cathepsin L-like precursor	0.0011	0.0031	0.0033
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0383	0.0408
Trypanosoma brucei	trypanothione reductase	0.0048	0.2299	0.6446
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.2142	0.2142
Onchocerca volvulus		0.0017	0.0383	0.3372
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.1136	0.1211
Loa Loa (eye worm)	ctsf protein	0.0017	0.0383	0.0408
Echinococcus granulosus	lamin dm0	0.0029	0.1136	0.1136
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0383	0.0383
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0383	0.0408
Schistosoma mansoni	transcription factor LCR-F1	0.0075	0.3963	0.3963
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0196	0.0209
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0383	1
Leishmania major	trypanothione reductase	0.0048	0.2299	0.6446
Onchocerca volvulus		0.0029	0.1136	1
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0017	0.0352	0.0352
Entamoeba histolytica	hypothetical protein	0.0075	0.3963	1
Leishmania major	cysteine peptidase A (CPA)	0.0017	0.0383	0.0104
Loa Loa (eye worm)	fibroinase	0.0017	0.0383	0.0408
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0014	0.0196	0.0196
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0383	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0383	1
Brugia malayi	Cathepsin L-like precursor	0.0011	0.0031	0.0033
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0017	0.0352	0.5
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0162	0.9385	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.2142	0.2142
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.1136	0.1211
Leishmania major	cathepsin L-like protease	0.0017	0.0383	0.0104
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0383	1
Entamoeba histolytica	hypothetical protein	0.0075	0.3963	1
Onchocerca volvulus		0.0011	0.0031	0.0276
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0383	0.0408
Leishmania major	cathepsin L-like protease	0.0065	0.3373	1
Onchocerca volvulus		0.0017	0.0383	0.3372
Mycobacterium tuberculosis	Probable reductase	0.0109	0.6118	0.8837
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.3373	1
Brugia malayi	hypothetical protein	0.0075	0.3963	0.4223
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0352	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0383	1
Loa Loa (eye worm)	glutathione reductase	0.0048	0.2299	0.245
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0383	0.0408
Leishmania major	cathepsin L-like protease	0.0017	0.0383	0.0104
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0048	0.2299	0.2985
Onchocerca volvulus		0.0017	0.0383	0.3372
Entamoeba histolytica	hypothetical protein	0.0075	0.3963	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.3373	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0383	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0109	0.6118	0.8837
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0122	0.6877	1
Brugia malayi	cathepsin L-like precursor	0.0011	0.0031	0.0033
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.0383	0.0408
Schistosoma mansoni	intermediate filament proteins	0.0029	0.1136	0.1136
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0383	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2142	0.2142
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0017	0.0352	0.0375
Echinococcus granulosus	cathepsin l1	0.0017	0.0383	0.0383
Brugia malayi	glutathione reductase	0.0048	0.2299	0.245
Echinococcus multilocularis	muscleblind protein 1	0.0162	0.9385	0.9385
Onchocerca volvulus		0.0017	0.0383	0.3372
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0383	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0383	1
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0017	0.0352	0.5
Loa Loa (eye worm)	hypothetical protein	0.0162	0.9385	1
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0383	0.0895
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0109	0.6118	0.8837
Trypanosoma cruzi	cysteine peptidase, putative	0.0017	0.0383	0.0104
Loa Loa (eye worm)	thioredoxin reductase	0.0048	0.2299	0.245
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.0383	0.0408
Leishmania major	cathepsin L-like protease	0.0017	0.0383	0.0104
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0012	0.0078	0.0083
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0075	0.3963	0.3963
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0383	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.2142	0.2142
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0383	1
Plasmodium vivax	glutathione reductase, putative	0.0048	0.2299	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0016	0.0292	0.0312
Plasmodium vivax	vivapain-2	0.0017	0.0383	0.0161
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.3373	1
Onchocerca volvulus		0.0017	0.0383	0.3372
Toxoplasma gondii	thioredoxin reductase	0.0048	0.2299	1
Schistosoma mansoni	lamin	0.0029	0.1136	0.1136
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.1136	0.1211
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0017	0.0352	0.0352
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2142	0.2142
Trypanosoma cruzi	cruzipain precursor, putative	0.0065	0.3373	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0383	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0383	0.0383
Onchocerca volvulus		0.0017	0.0383	0.3372
Brugia malayi	Thioredoxin reductase	0.0048	0.2299	0.245
Trypanosoma cruzi	major cysteine proteinase, putative	0.0051	0.2506	0.7128
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0383	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.2142	0.2282
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0031	0.0033
Mycobacterium tuberculosis	Probable dehydrogenase	0.0109	0.6118	0.8837
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0383	0.0408
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.3373	1
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0383	0.0895
Toxoplasma gondii	cathepsin CPL	0.0017	0.0383	0.0161
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0383	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0048	0.2299	0.2299
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2142	0.2142
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0352	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0031	0.0033
Echinococcus granulosus	lamin	0.0029	0.1136	0.1136
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.3373	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0017	0.0383	0.0161
Entamoeba histolytica	hypothetical protein	0.0075	0.3963	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.3373	1
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0383	0.0895
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1136	0.1211
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0383	1
Echinococcus granulosus	intermediate filament protein	0.0029	0.1136	0.1136
Echinococcus multilocularis	lamin	0.0029	0.1136	0.1136
Brugia malayi	Muscleblind-like protein	0.0162	0.9385	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0031	0.0033
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0383	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.0383	0.0383
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0122	0.6877	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0163	0.0173
Schistosoma mansoni	cathepsin F (C01 family)	0.0011	0.0031	0.0031
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.3373	1
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0383	0.3372
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.2142	0.2282
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.3373	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0383	0.0383
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0383	1
Schistosoma mansoni	lamin	0.0029	0.1136	0.1136
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.3373	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.3373	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0383	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0122	0.6877	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0383	0.0408
Plasmodium vivax	thioredoxin reductase, putative	0.0048	0.2299	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0011	0.0031	0.0033
Leishmania major	cathepsin L-like protease	0.0017	0.0383	0.0104
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.3373	1
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0017	0.0352	0.5
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0017	0.0352	0.5
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0109	0.6118	0.8837
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0383	0.0408
Schistosoma mansoni	hypothetical protein	0.0075	0.3963	0.3963
Brugia malayi	intermediate filament protein	0.0029	0.1136	0.1211
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0292	0.0312
Trypanosoma cruzi	trypanothione reductase, putative	0.0048	0.2299	0.6446
Treponema pallidum	NADH oxidase	0.0017	0.0352	0.5
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0017	0.0383	0.0161
Echinococcus multilocularis	lamin dm0	0.0029	0.1136	0.1136
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.006	0.3022	0.8836
Trichomonas vaginalis	mercuric reductase, putative	0.0017	0.0352	0.911
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0383	0.0383
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.3373	1
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0012	0.0078	0.0083
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0383	1
Leishmania major	cathepsin L-like protease	0.0065	0.3373	1
Onchocerca volvulus		0.0017	0.0383	0.3372
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0383	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0017	0.0383	0.0161
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0383	0.3372
Plasmodium vivax	vivapain-2	0.0017	0.0383	0.0161
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.0383	0.0408
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0383	1
Echinococcus multilocularis	muscleblind protein	0.0162	0.9385	0.9385
Leishmania major	cathepsin L-like protease	0.0017	0.0383	0.0104

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	> 27 uM	Inhibition of Leishmania major recombinant PTR1	ChEMBL.	19916554

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: CHEMBL566947

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1069052