TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 293.32 | Formula: C17H15N3O2
H donors: 4 H acceptors: 3 LogP: 1.29 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: NCC(c1cc(O)c2c3c1[nH]c1ccccc1c3ccn2)O
InChi: 1S/C17H15N3O2/c18-8-14(22)11-7-13(21)17-15-10(5-6-19-17)9-3-1-2-4-12(9)20-16(11)15/h1-7,14,20-22H,8,18H2
InChiKey: PZTPEBCFTKIETH-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
Echinococcus multilocularis	tar DNA binding protein	0.0136	0.5086	1
Echinococcus granulosus	inositol monophosphatase 1	0.0038	0.0402	0.0098
Loa Loa (eye worm)	inositol-1	0.0038	0.0402	0.0098
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0356	0.0149
Echinococcus granulosus	peptidase Clp S14 family	0.0057	0.1294	0.1984
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0136	0.5086	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.3274	0.617
Onchocerca volvulus		0.0092	0.2991	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0356	0.0149
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0402	0.0098
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0087	0.2728	1
Brugia malayi	Inositol-1	0.0038	0.0402	0.0098
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0356	0.0149
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0087	0.2728	0.5
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0057	0.1294	0.4744
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0402	0.0098
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0402	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0065	0.1696	0.2834
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0087	0.2728	1
Trichomonas vaginalis	inositol monophosphatase, putative	0.0038	0.0402	1
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.5086	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0087	0.2728	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0065	0.1696	0.2834
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.3274	0.617
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0038	0.0402	0.1474
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0038	0.0402	0.5
Brugia malayi	jmjC domain containing protein	0.0065	0.1696	0.2834
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.5086	1
Echinococcus granulosus	L aminoadipate semialdehyde	0.0092	0.2991	0.5571
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0402	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0356	0.0149
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0034	0.021	0.0768
Echinococcus granulosus	tar DNA binding protein	0.0136	0.5086	1
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0356	0.1304
Brugia malayi	jmjC domain containing protein	0.0065	0.1696	0.2834
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0087	0.2728	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0038	0.0402	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0065	0.1696	0.2834
Echinococcus multilocularis	lysine specific demethylase 5A	0.0065	0.1696	0.2834
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0092	0.2991	0.5571
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.5086	1
Toxoplasma gondii	ABC1 family protein	0.0037	0.0356	0.1304
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0065	0.1696	0.2834
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0356	0.0149
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0087	0.2728	0.5015
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0402	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0065	0.1696	0.2834
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0087	0.2728	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0098	0.3274	0.617
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.5086	1
Brugia malayi	RNA binding protein	0.0136	0.5086	1
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0356	0.0149
Loa Loa (eye worm)	TAR-binding protein	0.0136	0.5086	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0057	0.1294	0.1108
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0038	0.0402	0.0195
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0356	0.0149
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0356	0.0149
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0087	0.2728	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0087	0.2728	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0098	0.3274	0.617
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.5086	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0098	0.3274	0.617
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0087	0.2728	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0087	0.2728	0.5015
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0057	0.1294	0.1984
Schistosoma mansoni	jumonji domain containing protein	0.0065	0.1696	0.2834
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0356	0.0149
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0356	0.1304
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0057	0.1294	0.1108
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0098	0.3274	0.617
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0087	0.2728	1
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0092	0.2991	0.5571
Loa Loa (eye worm)	hypothetical protein	0.0087	0.2728	0.5015
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.3274	0.617
Brugia malayi	Probable ClpP-like protease	0.0087	0.2728	0.5015
Brugia malayi	TAR-binding protein	0.0136	0.5086	1
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0356	0.0149
Echinococcus granulosus	lysine specific demethylase 5A	0.0065	0.1696	0.2834
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0098	0.3274	0.617
Loa Loa (eye worm)	RNA binding protein	0.0136	0.5086	1
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0356	0.1304
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0087	0.2728	1
Brugia malayi	RNA recognition motif domain containing protein	0.0136	0.5086	1
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0402	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0038	0.0402	1
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0092	0.2991	0.5571
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0087	0.2728	0.5015
Echinococcus multilocularis	inositol monophosphatase 1	0.0038	0.0402	0.0098
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0098	0.3274	0.617
Loa Loa (eye worm)	hypothetical protein	0.0092	0.2991	0.5571

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: CHEMBL1194303

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 1148555