TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 276.334 | Formula: C14H20N4O2
H donors: 2 H acceptors: 3 LogP: 0.98 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: C[C@@H](C1CC(C1(C)C)Cn1cnc2c1nc[nH]c2=O)O
InChi: 1S/C14H20N4O2/c1-8(19)10-4-9(14(10,2)3)5-18-7-17-11-12(18)15-6-16-13(11)20/h6-10,19H,4-5H2,1-3H3,(H,15,16,20)/t8-,9?,10?/m0/s1
InChiKey: ALEIKMXNGKFACI-IDKOKCKLSA-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	glucose-6-phosphate 1-dehydrogenase	0.01	0.0475	1
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.0065	0.0269	0.462
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0265	0.1455	0.3285
Brugia malayi	RNA binding protein	0.0055	0.0204	0.0444
Onchocerca volvulus	Protein phosphatase PP2A 55 kDa regulatory subunit homolog	0.003	0.0059	0.0682
Loa Loa (eye worm)	hypothetical protein	0.0764	0.4412	1
Echinococcus granulosus	glucose 6 phosphate 1 dehydrogenase	0.01	0.0475	0.1058
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.01	0.0475	1
Brugia malayi	Importin beta-1 subunit	0.0025	0.0028	0.0043
Trypanosoma brucei	importin beta-1 subunit, putative	0.0025	0.0028	0.0408
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0038	0.0105	0.0357
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0038	0.0105	0.0357
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0038	0.0105	1
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0764	0.4412	1
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0038	0.0105	1
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0038	0.0105	0.0357
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0038	0.0105	0.0357
Trypanosoma cruzi	hypothetical protein, conserved	0.003	0.0059	0.125
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0038	0.0105	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0025	0.0028	0.0019
Trypanosoma brucei	importin beta-1 subunit, putative	0.0025	0.0028	0.0408
Brugia malayi	serine/threonine protein phosphatase 2A	0.003	0.0059	0.0115
Loa Loa (eye worm)	cytochrome P450 family protein	0.0049	0.0172	0.0369
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.01	0.0475	1
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0038	0.0105	1
Plasmodium vivax	importin-beta 2, putative	0.0025	0.0028	0.0408
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0038	0.0105	0.0357
Leishmania major	cytochrome p450-like protein	0.0038	0.0105	0.2216
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0038	0.0105	0.0357
Trichomonas vaginalis	protein phosphatase PP2A regulatory subunit B, putative	0.003	0.0059	0.125
Schistosoma mansoni	thyroid hormone receptor	0.0085	0.0382	0.0442
Schistosoma mansoni	protein phosphatase pp2a regulatory subunit B	0.003	0.0059	0.006
Schistosoma mansoni	tar DNA-binding protein	0.0055	0.0204	0.0231
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0376	0.2112	0.4777
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.01	0.0475	1
Brugia malayi	RNA recognition motif domain containing protein	0.0055	0.0204	0.0444
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0038	0.0105	0.0357
Brugia malayi	Cytochrome P450 family protein	0.0049	0.0172	0.0369
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0038	0.0105	1
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0038	0.0105	0.0357
Echinococcus multilocularis		0.0038	0.0105	0.0219
Schistosoma mansoni	thyroid hormone receptor	0.0085	0.0382	0.0442
Echinococcus multilocularis	peptidyl glycine alpha amidating monooxygenase	0.0764	0.4412	1
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0038	0.0105	0.0357
Trypanosoma cruzi	protein phosphatase 2A, regulatory subunit B, putative	0.0022	0.0009	0.0187
Echinococcus multilocularis	snurportin 1	0.0265	0.1455	0.3285
Trichomonas vaginalis	protein phosphatase pp2a regulatory subunit B, putative	0.003	0.0059	0.125
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0038	0.0105	0.0357
Trypanosoma cruzi	protein phosphatase 2A, regulatory subunit B, putative	0.0022	0.0009	0.0187
Loa Loa (eye worm)	TAR-binding protein	0.0055	0.0204	0.0444
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0038	0.0105	0.2216
Loa Loa (eye worm)	cytochrome P450 family protein	0.0043	0.0136	0.0288
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0038	0.0105	1
Trypanosoma brucei	cytochrome P450, putative	0.0043	0.0136	0.2721
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0038	0.0105	1
Treponema pallidum	glucose-6-phosphate 1-dehydrogenase	0.01	0.0475	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0055	0.0204	0.0231
Schistosoma mansoni	hypothetical protein	0.0265	0.1455	0.1711
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0038	0.0105	1
Loa Loa (eye worm)	DOMON domain-containing protein	0.0146	0.0748	0.1679
Echinococcus granulosus	peptidyl glycine alpha amidating monooxygenase	0.0764	0.4412	1
Loa Loa (eye worm)	cytochrome P450	0.0038	0.0105	0.0219
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0065	0.0269	0.026
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0038	0.0105	0.2216
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0038	0.0105	0.0357
Brugia malayi	Cytochrome P450 family protein	0.0043	0.0136	0.0288
Echinococcus multilocularis	glucose 6 phosphate 1 dehydrogenase	0.01	0.0475	0.1058
Brugia malayi	Cytochrome P450 family protein	0.0043	0.0136	0.0288
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0038	0.0105	1
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0038	0.0105	1
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0038	0.0105	0.2216
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0038	0.0105	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0036	0.0092	0.0098
Plasmodium falciparum	importin beta, putative	0.0025	0.0028	0.0408
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0038	0.0105	1
Schistosoma mansoni	tar DNA-binding protein	0.0055	0.0204	0.0231
Entamoeba histolytica	protein phosphatase regulatory subunit, putative	0.0022	0.0009	0.1498
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0038	0.0105	1
Schistosoma mansoni	importin beta-1	0.0025	0.0028	0.0022
Echinococcus granulosus	tar DNA binding protein	0.0055	0.0204	0.0444
Schistosoma mansoni	tar DNA-binding protein	0.0055	0.0204	0.0231
Brugia malayi	DOMON domain containing protein	0.0146	0.0748	0.1679
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0038	0.0105	0.2067
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0038	0.0105	0.2216
Leishmania major	hypothetical protein, conserved	0.003	0.0059	0.125
Schistosoma mansoni	hypothetical protein	0.0073	0.0316	0.0363
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0038	0.0105	0.0357
Schistosoma mansoni	aldehyde dehydrogenase	0.0036	0.0092	0.0098
Echinococcus granulosus	snurportin 1	0.0265	0.1455	0.3285
Trypanosoma brucei	protein phosphatase 2A regulatory subunit, putative	0.003	0.0059	0.1083
Loa Loa (eye worm)	glucose-6-phosphate dehydrogenase	0.01	0.0475	0.1058
Trypanosoma cruzi	cytochrome P450, putative	0.0043	0.0136	0.2857
Trypanosoma brucei	glucose-6-phosphate 1-dehydrogenase	0.01	0.0475	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0043	0.0136	0.0288
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0043	0.0136	0.1152
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.01	0.0475	0.0466
Trypanosoma cruzi	protein phosphatase 2A regulatory subunit, putative	0.003	0.0059	0.125
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0038	0.0105	0.0357
Loa Loa (eye worm)	CYP4Cod1	0.0043	0.0136	0.0288
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.0033	0.0077	0.1629
Trichomonas vaginalis	phosphotyrosyl phosphatase activator, putative	0.0022	0.0009	0.0187
Giardia lamblia	Protein phosphatase PP2A regulatory subunit B	0.003	0.0059	0.1083
Brugia malayi	DOMON domain containing protein	0.0146	0.0748	0.1679
Echinococcus multilocularis	tar DNA binding protein	0.0055	0.0204	0.0444
Echinococcus multilocularis	importin subunit beta 1	0.0025	0.0028	0.0043
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0038	0.0105	1
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0038	0.0105	0.0357
Trypanosoma cruzi	protein phosphatase 2A regulatory subunit, putative	0.003	0.0059	0.125
Brugia malayi	DOMON domain containing protein	0.0146	0.0748	0.1679
Trypanosoma cruzi	cytochrome P450, putative	0.0043	0.0136	0.2857
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0038	0.0105	1
Plasmodium falciparum	glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	0.01	0.0475	1
Echinococcus multilocularis	protein phosphatase pp2a regulatory subunit b	0.003	0.0059	0.0115
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0038	0.0105	0.0357
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0036	0.0092	0.0188
Leishmania major	glucose-6-phosphate 1-dehydrogenase, putative	0.01	0.0475	1
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0038	0.0105	1
Trichomonas vaginalis	serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B gamma isoform, putative	0.003	0.0059	0.125
Onchocerca volvulus		0.0146	0.0748	1
Echinococcus granulosus	importin subunit beta 1	0.0025	0.0028	0.0043
Brugia malayi	glucose-6-phosphate dehydrogenase	0.01	0.0475	0.1058
Loa Loa (eye worm)	serine/threonine protein phosphatase 2A	0.003	0.0059	0.0115
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0038	0.0105	0.0357
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0073	0.0316	0.0697
Schistosoma mansoni	tar DNA-binding protein	0.0055	0.0204	0.0231
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0038	0.0105	0.0357
Schistosoma mansoni	peptidylglycine monooxygenase	0.0764	0.4412	0.521
Onchocerca volvulus		0.0146	0.0748	1
Loa Loa (eye worm)	RNA binding protein	0.0055	0.0204	0.0444
Entamoeba histolytica	protein phosphatase regulatory subunit, putative	0.003	0.0059	1
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0038	0.0105	0.0357
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0038	0.0105	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0028	0.0043
Brugia malayi	Cytochrome P450 family protein	0.0038	0.0105	0.0219
Schistosoma mansoni	glucose-6-phosphate 1-dehydrogenase	0.01	0.0475	0.0551
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0036	0.0092	0.2653
Plasmodium vivax	glucose-6-phosphate 1-dehydrogenase, putative	0.01	0.0475	1
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0038	0.0105	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0036	0.0092	0.0083
Leishmania major	cytochrome p450-like protein	0.0038	0.0105	0.2216
Echinococcus granulosus	protein phosphatase pp2a regulatory subunit b	0.003	0.0059	0.0115
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0055	0.0204	0.0444
Trypanosoma brucei	hypothetical protein, conserved	0.003	0.0059	0.1083
Schistosoma mansoni	dopamine-beta-monooxygenase	0.1447	0.8461	1
Leishmania major	protein phosphatase 2A regulatory subunit, putative	0.003	0.0059	0.125
Brugia malayi	RNA, U transporter 1	0.0071	0.03	0.0661
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0036	0.0092	0.0188
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0038	0.0105	1
Echinococcus granulosus	cytochrome P450 2K1	0.0038	0.0105	0.0219
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein	0.0388	0.218	0.4931
Schistosoma mansoni	cytochrome P450	0.0038	0.0105	0.0114
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0038	0.0105	1
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0764	0.4412	1
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0073	0.0316	0.0697
Loa Loa (eye worm)	hypothetical protein	0.0764	0.4412	1
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0038	0.0105	0.0357
Schistosoma mansoni	peptidyl-glycine monooxygenase	0.0764	0.4412	0.521
Trypanosoma cruzi	hypothetical protein, conserved	0.003	0.0059	0.125
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0085	0.0382	0.0848
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0036	0.0092	0.1927
Chlamydia trachomatis	glucose-6-phosphate 1-dehydrogenase	0.01	0.0475	0.5
Trichomonas vaginalis	6-phosphogluconolactonase, putative	0.01	0.0475	1
Schistosoma mansoni	hypothetical protein	0.0038	0.0105	0.0114
Brugia malayi	TAR-binding protein	0.0055	0.0204	0.0444
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0038	0.0105	0.0357
Loa Loa (eye worm)	DOMON domain-containing protein	0.0146	0.0748	0.1679
Mycobacterium leprae	putative cytochrome p450	0.0038	0.0105	0.5
Loa Loa (eye worm)	DOMON domain-containing protein	0.0146	0.0748	0.1679
Brugia malayi	cytochrome P450	0.0038	0.0105	0.0219
Leishmania major	cytochrome p450-like protein	0.0043	0.0136	0.2857
Giardia lamblia	Glucose-6-phosphate 1-dehydrogenase	0.01	0.0475	1
Mycobacterium leprae	Conserved hypothetical protein	0.0038	0.0105	0.5
Trypanosoma cruzi	Glucose-6-phosphate dehydrogenase, putative	0.0032	0.0072	0.1509
Leishmania major	protein phosphatase 2A, regulatory subunit B, putative,phosphotyrosyl phosphate activator protein, putative	0.0022	0.0009	0.0187

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (ADMET)	> 200 uM	Cytotoxicity against mouse L1210/0 cells after 48 hrs	ChEMBL.	17341060

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 417569