TDR Targets

Basic information

Technical information

TDR Targets ID: 1867951
Name: 2-(4-amino-2-oxopyrimidin-1-yl)-4-(hydroxymet hyl)pentanedial
MW: 239.228 | Formula: C10H13N3O4
H donors: 2 H acceptors: 4 LogP: -2.41 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=CC(n1ccc(nc1=O)N)CC(C=O)CO
InChi: 1S/C10H13N3O4/c11-9-1-2-13(10(17)12-9)8(6-16)3-7(4-14)5-15/h1-2,4,6-8,15H,3,5H2,(H2,11,12,17)
InChiKey: YTJMNKKBNCPWSS-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

2-(4-amino-2-oxo-pyrimidin-1-yl)-4-(hydroxymethyl)pentanedial
2-(4-amino-2-oxo-1-pyrimidinyl)-4-(hydroxymethyl)pentanedial
2-(4-amino-2-keto-pyrimidin-1-yl)-4-methylol-glutaraldehyde

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	cysteine protease, putative	0.0034	0.0287	0.4054
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0034	0.0287	0.0287
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0038	0.0422	0.0422
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0047	0.0709	0.0709
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0047	0.0709	0.1105
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0038	0.0422	0.0422
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0422	0.0657
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.0709	0.1105
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.0709	0.0688
Entamoeba histolytica	cysteine proteinase 2	0.0034	0.0287	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0287	0.4054
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0047	0.0709	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0422	0.0422
Schistosoma mansoni	cathepsin F (C01 family)	0.0047	0.0709	0.0709
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.0287	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0038	0.0422	0.0422
Entamoeba histolytica	cysteine proteinase 1, putative	0.0034	0.0287	0.4054
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0225	0.6417	1
Brugia malayi	Cathepsin L-like precursor	0.0038	0.0422	0.0422
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0047	0.0709	0.0709
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.0709	0.0688
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.0709	0.0688
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0047	0.0709	0.1105
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0047	0.0709	0.0709
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0034	0.0287	0.0287
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.0709	0.1105
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0047	0.0709	0.0709
Brugia malayi	Papain family cysteine protease containing protein	0.0034	0.0287	0.0287
Schistosoma mansoni	cathepsin F (C01 family)	0.0038	0.0422	0.0422
Trypanosoma cruzi	cysteine peptidase, putative	0.0047	0.0709	0.0709
Echinococcus granulosus	cathepsin l1	0.0038	0.0422	0.0422
Brugia malayi	Cathepsin L-like precursor	0.0047	0.0709	0.0709
Trypanosoma cruzi	cysteine peptidase, putative	0.0047	0.0709	0.0709
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0047	0.0709	0.1105
Entamoeba histolytica	cysteine proteinase, putative	0.0038	0.0422	0.5946
Loa Loa (eye worm)	ctsf protein	0.0047	0.0709	0.0709
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0287	0.4054
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0047	0.0709	0.0709
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.0709	0.0688
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.0709	0.1105
Plasmodium vivax	unspecified product	0.0034	0.0287	0.4054
Echinococcus granulosus	cathepsin b	0.0337	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.0709	0.1105
Trypanosoma cruzi	cysteine peptidase, putative	0.0034	0.0287	0.0287
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0287	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0047	0.0709	0.0709
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0034	0.0287	0.0287
Plasmodium vivax	vivapain-3	0.0034	0.0287	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.0709	0.0688
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0337	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0047	0.0709	0.1105
Giardia lamblia	Cathepsin B precursor	0.0225	0.6417	1
Brugia malayi	Cathepsin L-like precursor	0.0047	0.0709	0.0709
Trypanosoma cruzi	cysteine protease, putative	0.0034	0.0287	0.0287
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0337	1	1
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0287	0.4054
Echinococcus granulosus	cathepsin L cysteine protease	0.0034	0.0287	0.0287
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.0709	0.0688
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0287	0.0448
Plasmodium vivax	vivapain-2	0.0047	0.0709	1
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0287	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0422	0.0657
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.0709	0.1105
Toxoplasma gondii	cathepsin CPL	0.0047	0.0709	0.1105
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0047	0.0709	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0225	0.6417	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0034	0.0287	0.0287
Brugia malayi	Cathepsin L-like precursor	0.0047	0.0709	0.0709
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.0287	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0047	0.0709	1
Onchocerca volvulus		0.0047	0.0709	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.0709	0.1105
Onchocerca volvulus	Cathepsin L homolog	0.0047	0.0709	1
Echinococcus multilocularis	cysteine protease	0.0047	0.0709	0.0709
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0047	0.0709	0.1105
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0047	0.0709	0.1105
Onchocerca volvulus		0.0038	0.0422	0.5946
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0047	0.0709	0.1105
Trypanosoma cruzi	cruzipain precursor, putative	0.0047	0.0709	0.0709
Echinococcus multilocularis	cathepsin b	0.0337	1	1
Loa Loa (eye worm)	hypothetical protein	0.0337	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0034	0.0287	0.0287
Loa Loa (eye worm)	cathepsin B	0.0225	0.6417	0.6417
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.0709	0.1105
Brugia malayi	cathepsin L-like precursor	0.0038	0.0422	0.0422
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.0709	0.1105
Onchocerca volvulus		0.0047	0.0709	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0047	0.0709	0.0709
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0287	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0225	0.6417	1
Giardia lamblia	Cathepsin B precursor	0.0225	0.6417	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0047	0.0709	0.1105
Brugia malayi	Papain family cysteine protease containing protein	0.0034	0.0287	0.0287
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.0709	0.0688
Onchocerca volvulus		0.0047	0.0709	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0047	0.0709	0.1105
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.0709	0.0688
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0337	1	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0047	0.0709	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0034	0.0287	0.0287
Onchocerca volvulus		0.0047	0.0709	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.0709	0.0688
Entamoeba histolytica	cysteine proteinase, putative	0.0047	0.0709	1
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0287	0.4054
Onchocerca volvulus		0.0047	0.0709	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.0709	0.1105
Echinococcus multilocularis	cathepsin L cysteine protease	0.0047	0.0709	0.0709
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.0287	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0287	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0287	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0047	0.0709	0.1105
Entamoeba histolytica	cysteine proteinase, putative	0.0047	0.0709	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0709	0.0709
Giardia lamblia	Cathepsin B precursor	0.0225	0.6417	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.0709	0.1105
Brugia malayi	Cathepsin L-like precursor	0.0047	0.0709	0.0709
Loa Loa (eye worm)	fibroinase	0.0047	0.0709	0.0709
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0034	0.0287	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.0709	0.0688
Loa Loa (eye worm)	cysteine protease	0.0047	0.0709	0.0709
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0337	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0047	0.0709	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.0709	0.1105
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0287	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0337	1	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0422	0.0422
Onchocerca volvulus	Cathepsin F homolog	0.0047	0.0709	1
Echinococcus multilocularis	cysteine protease	0.0047	0.0709	0.0709
Echinococcus granulosus	cysteine protease	0.0034	0.0287	0.0287
Onchocerca volvulus		0.0047	0.0709	1
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.0287	0.4054
Brugia malayi	Papain family cysteine protease containing protein	0.0047	0.0709	0.0709
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.0709	0.1105
Echinococcus granulosus	cathepsin L	0.0034	0.0287	0.0287
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.0709	0.1105
Echinococcus multilocularis	cathepsin b	0.0337	1	1
Brugia malayi	Cathepsin L-like precursor	0.0047	0.0709	0.0709
Echinococcus multilocularis	cathepsin L	0.0034	0.0287	0.0287
Trypanosoma cruzi	cysteine peptidase, putative	0.0047	0.0709	0.0709
Echinococcus granulosus	cathepsin b	0.0337	1	1
Onchocerca volvulus		0.0047	0.0709	1
Plasmodium vivax	vivapain-1	0.0034	0.0287	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0287	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0422	0.0422
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0287	0.0448
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.0709	0.0688
Onchocerca volvulus	Cathepsin L homolog	0.0047	0.0709	1
Toxoplasma gondii	cathepsin B	0.0225	0.6417	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0225	0.6417	0.6417
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.0709	0.1105
Echinococcus granulosus	cathepsin l1	0.0047	0.0709	0.0709
Trypanosoma cruzi	cysteine peptidase, putative	0.0047	0.0709	0.0709
Plasmodium vivax	vivapain-2	0.0047	0.0709	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0047	0.0709	0.0709
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0047	0.0709	0.1105
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0287	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0225	0.6417	0.6417

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: CHEMBL3184773

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 1867951