TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 293.279 | Formula: C12H15N5O4
H donors: 2 H acceptors: 5 LogP: -1.46 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@H]1O[C@H](C[C@H]1n1nncc1)n1cc(C)c(=O)[nH]c1=O
InChi: 1S/C12H15N5O4/c1-7-5-16(12(20)14-11(7)19)10-4-8(9(6-18)21-10)17-3-2-13-15-17/h2-3,5,8-10,18H,4,6H2,1H3,(H,14,19,20)/t8-,9-,10-/m1/s1
InChiKey: CPWUCLYZTKEZPT-OPRDCNLKSA-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
Entamoeba histolytica	fatty acid elongase, putative	0.0082	0.0385	0.7411
Mycobacterium ulcerans	dehydrogenase	0.0103	0.053	0.047
Echinococcus multilocularis	protein patched	0.0042	0.0106	0.0188
Echinococcus multilocularis	geminin	0.0169	0.0989	0.1812
Entamoeba histolytica	fatty acid elongase, putative	0.0082	0.0385	0.7411
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.0106	0.0188
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0062	0.0241
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0103	0.053	0.2153
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0106	0.1269
Schistosoma mansoni	amine oxidase	0.0103	0.053	0.2153
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0252	0.1018
Brugia malayi	Deoxynucleoside kinase family protein	0.0085	0.0403	0.4811
Trichomonas vaginalis	conserved hypothetical protein	0.0085	0.0403	1
Loa Loa (eye worm)	hypothetical protein	0.0103	0.053	0.6354
Echinococcus multilocularis	protein dispatched 1	0.0048	0.0147	0.0264
Schistosoma mansoni	hypothetical protein	0.0041	0.0095	0.0375
Echinococcus granulosus	expressed conserved protein	0.0092	0.0455	0.1845
Schistosoma mansoni	hypothetical protein	0.0041	0.0095	0.0375
Loa Loa (eye worm)	hypothetical protein	0.0103	0.053	0.6354
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0634	0.4222	0.4186
Schistosoma mansoni	hypothetical protein	0.0037	0.0067	0.0261
Echinococcus granulosus	insulin receptor	0.0047	0.0139	0.0553
Mycobacterium ulcerans	oxidoreductase	0.0103	0.053	0.047
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0062	0.5
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0496	0.595
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0062	0.071
Echinococcus granulosus	Niemann Pick C1 protein	0.014	0.079	0.3215
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0103	0.053	0.2153
Schistosoma mansoni	tyrosine kinase	0.0078	0.0355	0.1439
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0047	0.0139	0.0249
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0067	0.0261
Giardia lamblia	Hypothetical protein	0.0085	0.0403	0.5
Loa Loa (eye worm)	deoxynucleoside kinase	0.0085	0.0403	0.4832
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0085	0.0403	0.7827
Plasmodium vivax	hypothetical protein, conserved	0.0103	0.053	0.1124
Onchocerca volvulus		0.0103	0.053	1
Brugia malayi	RNA binding protein	0.0063	0.0252	0.2997
Schistosoma mansoni	tyrosine kinase	0.0047	0.0139	0.0553
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0103	0.053	0.0507
Schistosoma mansoni	tyrosine kinase	0.0078	0.0355	0.1439
Entamoeba histolytica	fatty acid elongase, putative	0.0082	0.0385	0.7411
Entamoeba histolytica	hypothetical protein	0.0085	0.0403	0.7827
Echinococcus granulosus	thymidine kinase	0.0379	0.2449	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0098	0.0496	0.2015
Entamoeba histolytica	hypothetical protein	0.0085	0.0403	0.7827
Echinococcus multilocularis		0.0103	0.053	0.0968
Brugia malayi	TAR-binding protein	0.0063	0.0252	0.2997
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0252	0.3026
Schistosoma mansoni	tyrosine kinase	0.0079	0.0361	0.1463
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0062	0.0749
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0062	0.0749
Loa Loa (eye worm)	hypothetical protein	0.0103	0.053	0.6354
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.1362	0.9283	1
Echinococcus granulosus	thymidine kinase	0.0379	0.2449	1
Echinococcus granulosus	epidermal growth factor receptor	0.0147	0.0834	0.3396
Entamoeba histolytica	hypothetical protein	0.0085	0.0403	0.7827
Plasmodium vivax	hypothetical protein, conserved	0.0103	0.053	0.1124
Loa Loa (eye worm)	TK/INSR protein kinase	0.0047	0.0139	0.1665
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0085	0.0403	0.7827
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0079	0.0361	0.1463
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0252	0.1018
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0067	0.0117
Echinococcus granulosus	epidermal growth factor receptor	0.0079	0.0361	0.1463
Trichomonas vaginalis	conserved hypothetical protein	0.0085	0.0403	1
Entamoeba histolytica	hypothetical protein	0.0085	0.0403	0.7827
Schistosoma mansoni	NADH-ubiquinone oxidoreductase	0.0085	0.0403	0.1634
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0634	0.4222	0.5
Echinococcus multilocularis	epidermal growth factor receptor	0.0147	0.0834	0.1526
Entamoeba histolytica	hypothetical protein	0.0085	0.0403	0.7827
Brugia malayi	hypothetical protein	0.0037	0.0067	0.0769
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0062	0.0749
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0252	0.3026
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.0106	0.1269
Loa Loa (eye worm)	hypothetical protein	0.0103	0.053	0.6354
Giardia lamblia	Deoxyguanosine kinase/deoxyadenosine kinase subunit, putative	0.0085	0.0403	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0106	0.1274
Giardia lamblia	Hypothetical protein	0.0085	0.0403	0.5
Entamoeba histolytica	hypothetical protein	0.0085	0.0403	0.7827
Echinococcus multilocularis	epidermal growth factor receptor	0.0079	0.0361	0.0658
Echinococcus granulosus	NADH ubiquinone oxidoreductase 42 kDa subunit	0.0085	0.0403	0.1634
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0085	0.0403	0.7827
Schistosoma mansoni	hypothetical protein	0.0169	0.0989	0.4031
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0047	0.0139	0.0553
Echinococcus multilocularis	NADH ubiquinone oxidoreductase 42 kDa subunit	0.0085	0.0403	0.0734
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.0106	0.0419
Brugia malayi	Furin-like cysteine rich region family protein	0.0147	0.0834	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0062	0.0749
Schistosoma mansoni	thymidine kinase	0.0379	0.2449	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0062	0.0749
Brugia malayi	Niemann-Pick C1 protein precursor	0.0098	0.0496	0.5933
Echinococcus multilocularis	expressed conserved protein	0.0092	0.0455	0.0829
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0067	0.0261
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0634	0.4222	0.4186
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0252	0.1018
Leishmania major	UDP-galactopyranose mutase	0.0103	0.053	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0172	0.2061
Brugia malayi	hypothetical protein	0.0103	0.053	0.6339
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0252	0.1018
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.023	0.141	0.1461
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.0634	0.4222	0.4512
Onchocerca volvulus		0.0036	0.0062	0.112
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0147	0.0834	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.081	0.5444	1
Echinococcus granulosus	geminin	0.0169	0.0989	0.4031
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0252	0.2997
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0062	0.0241
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0252	0.3026
Entamoeba histolytica	hypothetical protein	0.0085	0.0403	0.7827
Toxoplasma gondii	histone lysine-specific demethylase	0.0103	0.053	1
Trichomonas vaginalis	conserved hypothetical protein	0.0085	0.0403	1
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0103	0.053	1
Echinococcus multilocularis	thymidine kinase	0.0379	0.2449	0.4495
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0103	0.053	0.1124
Schistosoma mansoni	tyrosine kinase	0.0078	0.0355	0.1439
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0042
Echinococcus granulosus	Thymidine kinase 2 mitochondrial	0.0379	0.2449	1
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0103	0.053	0.047
Onchocerca volvulus		0.0036	0.0062	0.112
Brugia malayi	amine oxidase, flavin-containing family protein	0.0103	0.053	0.6339
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0103	0.053	0.0968
Entamoeba histolytica	hypothetical protein	0.0085	0.0403	0.7827
Echinococcus multilocularis	insulin receptor	0.0047	0.0139	0.0249
Schistosoma mansoni	hypothetical protein	0.0169	0.0989	0.4031
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.0106	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0103	0.053	0.6354
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0062	0.0108
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.0634	0.4222	1
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0103	0.053	0.1124
Giardia lamblia	Deoxynucleoside kinase	0.0085	0.0403	0.5
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0003	0.0042
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.1465	1	1
Schistosoma mansoni	patched 1	0.0042	0.0106	0.0419
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0252	0.1018
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0062	0.0749
Entamoeba histolytica	hypothetical protein	0.0085	0.0403	0.7827
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.01	0.0507	0.2058
Brugia malayi	CHE-14 protein	0.0042	0.0106	0.1232
Brugia malayi	Protein kinase domain containing protein	0.0047	0.0139	0.163
Brugia malayi	SWIRM domain containing protein	0.0103	0.053	0.6339
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0062	0.0241
Entamoeba histolytica	fatty acid elongase, putative	0.0082	0.0385	0.7411
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0103	0.053	1
Echinococcus multilocularis	thymidine kinase	0.0379	0.2449	0.4495
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0103	0.053	0.2153
Loa Loa (eye worm)	hypothetical protein	0.0103	0.053	0.6354
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.0634	0.4222	1
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0003	0.0042
Schistosoma mansoni	tyrosine kinase	0.0147	0.0834	0.3396
Echinococcus multilocularis	Niemann Pick C1 protein	0.0098	0.0496	0.0906
Schistosoma mansoni	amine oxidase	0.0103	0.053	0.2153
Mycobacterium tuberculosis	Possible oxidoreductase	0.0103	0.053	0.0507
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.0634	0.4222	0.4186
Schistosoma mansoni	hypothetical protein	0.0041	0.0095	0.0375
Schistosoma mansoni	hypothetical protein	0.0041	0.0095	0.0375
Schistosoma mansoni	tyrosine kinase	0.0047	0.0139	0.0553
Mycobacterium ulcerans	monoamine oxidase	0.0103	0.053	0.047
Brugia malayi	beta-lactamase family protein	0.0036	0.0062	0.071
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0252	0.0457
Trichomonas vaginalis	conserved hypothetical protein	0.0085	0.0403	1
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0103	0.053	1
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0103	0.053	0.2153
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0103	0.053	0.0968
Trichomonas vaginalis	conserved hypothetical protein	0.0085	0.0403	1
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0098	0.0496	1
Brugia malayi	beta-lactamase	0.0036	0.0062	0.071
Echinococcus multilocularis		0.0045	0.0129	0.023
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0062	0.0749
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0252	0.1018
Brugia malayi	beta-lactamase family protein	0.0036	0.0062	0.071
Echinococcus multilocularis	Niemann Pick C1 protein	0.014	0.079	0.1445
Entamoeba histolytica	fatty acid elongase, putative	0.0082	0.0385	0.7411
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0085	0.0403	0.7827
Onchocerca volvulus		0.0036	0.0062	0.112
Chlamydia trachomatis	oxoacyl-ACP synthase III	0.0634	0.4222	1
Schistosoma mansoni	tyrosine kinase	0.0079	0.0361	0.1463
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0103	0.053	1
Echinococcus multilocularis	transfer RNA-Ile	0.0379	0.2449	0.4495
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0062	0.0749

Activities

Activity type	Activity value	Assay description	Source	Reference
CD50 (functional)	> 500 uM	Cytotoxic dose required to reduce the viability of normal uninfected MT-4 cells by 50%	ChEMBL.	2299650
CD50 (functional)	> 500 uM	Cytotoxic dose required to reduce the viability of normal uninfected MT-4 cells by 50%	ChEMBL.	2299650
ED50 (functional)	> 100 uM	Inhibitory effect on MSV-induced transformation of C3H/3T3 cells	ChEMBL.	2299650
ED50 (functional)	> 100 uM	Inhibitory effect on MSV-induced transformation of C3H/3T3 cells	ChEMBL.	2299650
ED50 (functional)	> 500 uM	Effective dose of compound required to achieve 50% protection of MT-4 cells against the cytopathic effect of HIV	ChEMBL.	2299650
ED50 (functional)	> 500 uM	Effective dose of compound required to achieve 50% protection of MT-4 cells against the cytopathic effect of HIV	ChEMBL.	2299650
MCC (functional)	> 100 uM	Minimum cytotoxic concentration required to inhibit MSV-induced transformation of C3H/3T3 cells	ChEMBL.	2299650
MCC (functional)	> 100 uM	Minimum cytotoxic concentration required to inhibit MSV-induced transformation of C3H/3T3 cells	ChEMBL.	2299650

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

No external resources registered for this compound

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 301111