TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 255.272 | Formula: C14H13N3O2
H donors: 2 H acceptors: 4 LogP: 3.18 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Oc1nc2nn(c(c2c(c1C)C)O)c1ccccc1
InChi: 1S/C14H13N3O2/c1-8-9(2)13(18)15-12-11(8)14(19)17(16-12)10-6-4-3-5-7-10/h3-7,19H,1-2H3,(H,15,16,18)
InChiKey: IIOLNYHYCYAISM-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
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.042	0.4422
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.042	0.0183
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0009	0.0294	0.4031
Schistosoma mansoni	hypothetical protein	0.0014	0.0729	0.1016
Schistosoma mansoni	Na+/K+ transporting ATPase subunit alpha	0.0009	0.0294	0.0409
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.5035	0.7018
Entamoeba histolytica	hypothetical protein, conserved	0.0014	0.0729	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.5035	0.7018
Toxoplasma gondii	macro domain-containing protein	0.0014	0.0729	0.7679
Loa Loa (eye worm)	hypothetical protein	0.0091	0.7174	0.7089
Echinococcus granulosus	MACRO domain containing protein 2	0.0014	0.0729	0.0918
Mycobacterium leprae	Probable metal cation-transporting P-type ATPase C CtpC	0.0009	0.0294	0.5
Entamoeba histolytica	plasma membrane calcium ion-transporting ATPase, putative	0.0009	0.0294	0.4031
Toxoplasma gondii	haloacid dehalogenase family hydrolase domain-containing protein	0.0009	0.0294	0.3095
Mycobacterium ulcerans	lipoprotein LppD	0.0014	0.0729	1
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0017	0.0966	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.042	0.4422
Treponema pallidum	hypothetical protein	0.0009	0.0294	0.5
Entamoeba histolytica	phospholipid-transporting P-type ATPase, putative	0.0009	0.0294	0.4031
Toxoplasma gondii	P-type ATPase4, putative	0.0009	0.0294	0.3095
Brugia malayi	Appr-1-p processing enzyme family protein	0.0014	0.0729	0.0632
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.001	0.042	0.0266
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0009	0.0294	0.4031
Toxoplasma gondii	calcium-translocating P-type ATPase, PMCA-type protein	0.0009	0.0294	0.3095
Brugia malayi	Bloom's syndrome protein homolog	0.0025	0.1637	0.1952
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0671	0.8682
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.001	0.042	0.0266
Trichomonas vaginalis	ganglioside induced differentiation associated protein, putative	0.0014	0.0729	0.3238
Schistosoma mansoni	eyes absent homolog	0.0091	0.7174	1
Schistosoma mansoni	ATPase	0.0009	0.0294	0.0409
Toxoplasma gondii	phospholipid-translocating P-type ATPase, flippase subfamily protein	0.0009	0.0294	0.3095
Entamoeba histolytica	phospholipid-transporting P-type ATPase, putative	0.0009	0.0294	0.4031
Trichomonas vaginalis	ganglioside induced differentiation associated protein, putative	0.0014	0.0729	0.3238
Trypanosoma brucei	Macro domain containing protein, putative	0.0014	0.0729	1
Trypanosoma cruzi	Macro domain containing protein, putative	0.0014	0.0729	1
Mycobacterium leprae	PROBABLE CATION-TRANSPORTER ATPASE I CTPI	0.0009	0.0294	0.5
Schistosoma mansoni	copper ABC transporter ATPase	0.0009	0.0294	0.0409
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.001	0.042	0.013
Toxoplasma gondii	cation-transporting atpase family protein	0.0009	0.0294	0.3095
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0009	0.0294	0.4031
Schistosoma mansoni	type V p-type atpase isoform	0.0009	0.0294	0.0409
Trichomonas vaginalis	DNA helicase recq, putative	0.0025	0.1637	1
Entamoeba histolytica	hypothetical protein, conserved	0.0014	0.0729	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0729	0.0448
Schistosoma mansoni	atpase class VI type 11c	0.0009	0.0294	0.0409
Schistosoma mansoni	cation-transporting atpase 13a1 (G-box binding protein)	0.0009	0.0294	0.0409
Giardia lamblia	Protein LRP16	0.0014	0.0729	1
Schistosoma mansoni	cation-transporting atpase worm	0.0009	0.0294	0.0409
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.5035	0.4884
Treponema pallidum	cation-transporting ATPase, P-type	0.0009	0.0294	0.5
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.5035	1
Plasmodium vivax	hypothetical protein, conserved	0.0014	0.0729	0.6474
Entamoeba histolytica	phospholipid-transporting P-type ATPase, putative	0.0009	0.0294	0.4031
Schistosoma mansoni	ATPase	0.0009	0.0294	0.0409
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.001	0.042	0.0266
Toxoplasma gondii	P-type ATPase PMA1	0.0009	0.0294	0.3095
Mycobacterium leprae	PROBABLE CATION-TRANSPORTER P-TYPE ATPASE B CTPB	0.0009	0.0294	0.5
Plasmodium falciparum	Appr-1-p processing domain protein	0.0014	0.0729	0.3985
Entamoeba histolytica	calcium-transporting P-type ATPase, putative	0.0009	0.0294	0.4031
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.5035	0.7018
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0671	1
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0671	0.8682
Echinococcus granulosus	tar DNA binding protein	0.0065	0.5035	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.042	0.013
Loa Loa (eye worm)	hypothetical protein	0.0091	0.7174	0.7089
Schistosoma mansoni	cation-transporting atpase worm	0.0009	0.0294	0.0409
Loa Loa (eye worm)	RecQ helicase	0.0025	0.1637	0.1384
Brugia malayi	TAR-binding protein	0.0065	0.5035	0.689
Onchocerca volvulus		0.0009	0.0294	0.5
Schistosoma mansoni	hypothetical protein	0.0014	0.0729	0.1016
Brugia malayi	RNA binding protein	0.0065	0.5035	0.689
Trichomonas vaginalis	DNA helicase recq1, putative	0.0025	0.1637	1
Schistosoma mansoni	blooms syndrome DNA helicase	0.002	0.1201	0.1674
Entamoeba histolytica	recQ family helicase, putative	0.0013	0.0671	0.9213
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.042	0.0183
Schistosoma mansoni	DNA helicase recq5	0.001	0.042	0.0585
Entamoeba histolytica	cation-transporting P-typeATPase, putative	0.0009	0.0294	0.4031
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.5035	0.689
Brugia malayi	hypothetical protein	0.0091	0.7174	1
Trypanosoma cruzi	Macro domain containing protein, putative	0.0014	0.0729	1
Giardia lamblia	Sgs1 DNA helicase, putative	0.001	0.042	0.2894
Entamoeba histolytica	plasma membrane calcium-transporting ATPase 1, putative	0.0009	0.0294	0.4031
Chlamydia trachomatis	metal transport ATPase	0.0009	0.0294	0.5
Schistosoma mansoni	phosphoserine phosphatase	0.0009	0.0294	0.0409
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.001	0.042	0.0266
Loa Loa (eye worm)	RNA binding protein	0.0065	0.5035	0.4884
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.5035	0.4884
Echinococcus granulosus	bloom syndrome protein	0.0025	0.1637	0.2833
Toxoplasma gondii	phospholipid-translocating P-type ATPase, flippase subfamily protein	0.0009	0.0294	0.3095
Echinococcus multilocularis	MACRO domain containing protein 2	0.0014	0.0729	0.0918
Schistosoma mansoni	cation-transporting ATPase	0.0009	0.0294	0.0409
Entamoeba histolytica	hypothetical protein, conserved	0.0014	0.0729	1
Mycobacterium tuberculosis	Possible lipoprotein LppD	0.0014	0.0729	1
Trichomonas vaginalis	DNA helicase recq, putative	0.0013	0.0671	0.2811
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.001	0.042	0.1153
Toxoplasma gondii	haloacid dehalogenase family hydrolase domain-containing protein	0.0009	0.0294	0.3095
Schistosoma mansoni	DNA helicase recq1	0.001	0.042	0.0585
Toxoplasma gondii	sarco/endoplasmic reticulum Ca2+-ATPase	0.0009	0.0294	0.3095
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0017	0.0949	1
Toxoplasma gondii	heavy metal translocating P-type ATPase subfamily protein	0.0009	0.0294	0.3095
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0022	0.1385	1
Echinococcus multilocularis	bloom syndrome protein	0.0025	0.1637	0.2833
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.5035	0.7018
Trichomonas vaginalis	ganglioside induced differentiation associated protein, putative	0.0014	0.0729	0.3238
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.5035	0.7018
Echinococcus multilocularis	MACRO domain containing protein 2	0.0014	0.0729	0.0918
Echinococcus granulosus	MACRO domain containing protein 2	0.0014	0.0729	0.0918

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 864893