TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 336.345 | Formula: C18H16N4O3
H donors: 0 H acceptors: 4 LogP: 0.85 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCn1c(=O)c2cccc3c2n(c1=O)c1cnccc1c3=O)C
InChi: 1S/C18H16N4O3/c1-20(2)8-9-21-17(24)13-5-3-4-12-15(13)22(18(21)25)14-10-19-7-6-11(14)16(12)23/h3-7,10H,8-9H2,1-2H3
InChiKey: NEXBKGZAKFJODN-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
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.0197	0.0918	0.0918
Trichomonas vaginalis	conserved hypothetical protein	0.0197	0.0918	1
Brugia malayi	Trypsin family protein	0.0101	0.0399	0.0399
Echinococcus granulosus	tissue type plasminogen activator	0.0052	0.0134	0.0134
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0749	0.3889	0.3889
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0197	0.0918	1
Plasmodium falciparum	peptidase, putative	0.0197	0.0918	1
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0197	0.0918	0.0918
Brugia malayi	Protein kinase domain containing protein	0.0052	0.0134	0.0134
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0197	0.0918	0.0918
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0197	0.0918	0.0918
Echinococcus granulosus	cathepsin b	0.0145	0.0633	0.0633
Brugia malayi	prolyl oligopeptidase family protein	0.0197	0.0918	0.0918
Echinococcus multilocularis	tissue type plasminogen activator	0.0052	0.0134	0.0134
Trypanosoma brucei	Alpha/beta hydrolase domain-containing protein	0.0197	0.0918	0.0918
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0051	0.0127	0.0127
Loa Loa (eye worm)	prolyl oligopeptidase	0.0197	0.0918	0.0918
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0633	0.0633
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0051	0.0127	0.0127
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0197	0.0918	0.0918
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0197	0.0918	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0101	0.0399	0.0399
Leishmania major	hypothetical protein, conserved	0.0052	0.0134	0.0134
Trypanosoma cruzi	prolyl endopeptidase	0.1882	1	1
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.0749	0.3889	0.5
Echinococcus multilocularis	acylamino acid releasing enzyme	0.0197	0.0918	0.0918
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0145	0.0633	0.0633
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0197	0.0918	1
Plasmodium falciparum	cysteine repeat modular protein 1	0.0052	0.0134	0.1458
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0197	0.0918	0.0918
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0051	0.0127	0.0127
Loa Loa (eye worm)	prolyl oligopeptidase	0.0197	0.0918	0.0918
Onchocerca volvulus	Prolyl endopeptidase homolog	0.1882	1	1
Schistosoma mansoni	hypothetical protein	0.0052	0.0134	0.0134
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0052	0.0134	0.1458
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.1882	1	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0134	0.0134
Loa Loa (eye worm)	TK/ROR protein kinase	0.0052	0.0134	0.0134
Schistosoma mansoni	acylaminoacyl-peptidase (S09 family)	0.0197	0.0918	0.0918
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0197	0.0918	0.0918
Echinococcus multilocularis	cathepsin b	0.0145	0.0633	0.0633
Trypanosoma cruzi	hypothetical protein, conserved	0.0197	0.0918	0.0918
Toxoplasma gondii	prolyl endopeptidase	0.1882	1	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0145	0.0633	0.0633
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0197	0.0918	1
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0749	0.3889	0.3889
Plasmodium vivax	hypothetical protein, conserved	0.0197	0.0918	1
Brugia malayi	prolyl oligopeptidase family protein	0.0197	0.0918	0.0918
Brugia malayi	prolyl oligopeptidase family protein	0.0197	0.0918	0.0918
Trypanosoma cruzi	oligopeptidase b	0.0749	0.3889	0.3889
Toxoplasma gondii	kringle domain-containing protein	0.0052	0.0134	0.0134
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0051	0.0127	0.1379
Loa Loa (eye worm)	cathepsin B	0.0051	0.0127	0.0127
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0101	0.0399	0.0399
Brugia malayi	prolyl oligopeptidase family protein	0.0197	0.0918	0.0918
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.0197	0.0918	0.0918
Trypanosoma brucei	prolyl oligopeptidase, putative	0.0749	0.3889	0.3889
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.1882	1	1
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.1882	1	1
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0197	0.0918	0.0918
Echinococcus granulosus	acylamino acid releasing enzyme	0.0197	0.0918	0.0918
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0145	0.0633	0.0633
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0197	0.0918	0.0918
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0197	0.0918	1
Echinococcus multilocularis	cathepsin b	0.0145	0.0633	0.0633
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0145	0.0633	0.0633
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0399	0.0399
Entamoeba histolytica	hypothetical protein, conserved	0.0197	0.0918	1
Leishmania major	oligopeptidase b	0.0749	0.3889	0.3889
Trypanosoma brucei	oligopeptidase b	0.0749	0.3889	0.3889
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.0749	0.3889	0.5
Trichomonas vaginalis	Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase	0.0197	0.0918	1
Echinococcus granulosus	cathepsin b	0.0145	0.0633	0.0633
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0145	0.0633	0.0633
Onchocerca volvulus		0.0101	0.0399	0.0399
Echinococcus granulosus	prolyl endopeptidase	0.1882	1	1
Toxoplasma gondii	hypothetical protein	0.0197	0.0918	0.0918
Loa Loa (eye worm)	hypothetical protein	0.1882	1	1
Toxoplasma gondii	cathepsin B	0.0051	0.0127	0.0127
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.0197	0.0918	0.0918
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0749	0.3889	0.3889
Echinococcus multilocularis	prolyl endopeptidase	0.1882	1	1
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0197	0.0918	1
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.0749	0.3889	0.3889
Loa Loa (eye worm)	hypothetical protein	0.0197	0.0918	0.0918
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0197	0.0918	0.0918
Onchocerca volvulus		0.0052	0.0134	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0197	0.0918	0.0918
Trypanosoma cruzi	hypothetical protein, conserved	0.0052	0.0134	0.0134
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0145	0.0633	0.0633
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0197	0.0918	1
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0197	0.0918	0.0918
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0197	0.0918	1
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0197	0.0918	0.0918
Trypanosoma cruzi	oligopeptidase b	0.0749	0.3889	0.3889
Brugia malayi	Kringle domain containing protein	0.0052	0.0134	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0399	0.0399
Onchocerca volvulus		0.0088	0.0327	0.0327
Trypanosoma brucei	prolyl endopeptidase	0.1882	1	1
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	0.1685	0.8936	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0197	0.0918	0.0918
Toxoplasma gondii	acylaminoacyl-peptidase, putative	0.0197	0.0918	0.0918
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0051	0.0127	0.0127

Activities

Activity type	Activity value	Assay description	Source	Reference
C50 (binding)	= 10.7 uM	Inhibitory concentration against ethidium bromide binding to [poly(dA-dT)] [poly(dA-dT)]	ChEMBL.	8126699
IC50 (functional)	> 40 uM	Inhibition of P388 leukemia cells growth in culture	ChEMBL.	8126699
IC50 (functional)	> 40 uM	Inhibition of P388 leukemia cells growth in culture	ChEMBL.	8126699

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

PubChem: 10449659

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 269186