TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 289.288 | Formula: C17H11N3O2
H donors: 1 H acceptors: 2 LogP: 2.96 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: O=c1[nH]cnc2c1c1ccccn1c2C(=O)c1ccccc1
InChi: 1S/C17H11N3O2/c21-16(11-6-2-1-3-7-11)15-14-13(17(22)19-10-18-14)12-8-4-5-9-20(12)15/h1-10H,(H,18,19,22)
InChiKey: YFHAIDLPXXOOLF-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
Trichomonas vaginalis	modulator of drug activity B, putative	0.0063	0.1625	0.1474
Trichomonas vaginalis	modulator of drug activity B, putative	0.0063	0.1625	0.1474
Entamoeba histolytica	arginine N-methyltransferase protein, putative	0.0048	0.0934	0.4695
Trichomonas vaginalis	conserved hypothetical protein	0.0253	1	1
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0044	0.0782	0.4545
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0061	0.1529	0.3842
Echinococcus granulosus	apoptotic protease activating factor 1	0.0041	0.0648	0.1628
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0041	0.0648	0.1628
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0044	0.0782	0.0615
Trypanosoma cruzi	metacaspase 5, putative	0.0044	0.0782	0.3935
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0782	0.2025
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.0117	0.3981	1
Echinococcus granulosus	dna polymerase kappa	0.006	0.1491	0.3746
Schistosoma mansoni	caspase-7 (C14 family)	0.0085	0.2594	0.6354
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0253	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0612	0.3439
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.0117	0.3981	1
Echinococcus multilocularis	dna polymerase eta	0.0034	0.0322	0.0808
Trypanosoma brucei	DNA polymerase kappa, putative	0.006	0.1491	1
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0061	0.1529	0.5315
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.1507	0.3495
Trichomonas vaginalis	conserved hypothetical protein	0.0253	1	1
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0061	0.1529	0.3842
Trichomonas vaginalis	conserved hypothetical protein	0.0063	0.1625	0.1474
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0044	0.0782	0.0615
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0648	0.1437
Trichomonas vaginalis	modulator of drug activity B, putative	0.0063	0.1625	0.1474
Trichomonas vaginalis	conserved hypothetical protein	0.0063	0.1625	0.1474
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0063	0.1625	0.1474
Trichomonas vaginalis	conserved hypothetical protein	0.0253	1	1
Trichomonas vaginalis	FMN-dependent NADH-azoreductase, putative	0.0063	0.1625	0.1474
Trypanosoma brucei	DNA polymerase IV, putative	0.006	0.1491	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0044	0.0782	0.0615
Leishmania major	metacaspase, putative	0.0044	0.0782	0.447
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0061	0.1507	0.9835
Echinococcus granulosus	caspase 2	0.0085	0.2594	0.6516
Trichomonas vaginalis	conserved hypothetical protein	0.0063	0.1625	0.1474
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0061	0.1507	0.3785
Onchocerca volvulus	Cell death protein 3 homolog	0.0085	0.2594	1
Trypanosoma brucei	Metacaspase-4	0.0044	0.0782	0.4708
Trypanosoma brucei	DNA polymerase kappa, putative	0.006	0.1491	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.006	0.1491	1
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0061	0.1529	0.3554
Trichomonas vaginalis	conserved hypothetical protein	0.0253	1	1
Entamoeba histolytica	iron-sulfur flavoprotein, putative	0.0063	0.1625	1
Entamoeba histolytica	modulator of drug activity B homolog, putative	0.0063	0.1625	1
Echinococcus granulosus	protein arginine N methyltransferase 8	0.003	0.0178	0.0446
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0061	0.1529	1
Plasmodium vivax	metacaspase 1, putative	0.0044	0.0782	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.1507	0.3495
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0044	0.0782	0.0615
Brugia malayi	polk-prov protein	0.0037	0.0467	0.0639
Trypanosoma brucei	DNA polymerase kappa, putative	0.006	0.1491	1
Trypanosoma cruzi	metacaspase, putative	0.0044	0.0782	0.3935
Schistosoma mansoni	DNA polymerase eta	0.0034	0.0322	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0934	0.2693
Echinococcus multilocularis	protein arginine methyltransferase	0.003	0.0178	0.0446
Trypanosoma brucei	metacaspase 5, putative	0.0044	0.0782	0.4708
Trichomonas vaginalis	conserved hypothetical protein	0.0253	1	1
Trypanosoma brucei	Protein arginine N-methyltransferase 1 catalytic subunit	0.0048	0.0934	0.5839
Trypanosoma brucei	DNA polymerase kappa, putative	0.006	0.1491	1
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0782	0.0615
Trichomonas vaginalis	modulator of drug activity B, putative	0.0063	0.1625	0.1474
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0467	0.0639
Echinococcus multilocularis	dna polymerase kappa	0.006	0.1491	0.3746
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0253	1	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0063	0.1625	0.1474
Trichomonas vaginalis	conserved hypothetical protein	0.0253	1	1
Trypanosoma brucei	unspecified product	0.0054	0.1201	0.7835
Trichomonas vaginalis	modulator of drug activity B, putative	0.0063	0.1625	0.1474
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0782	0.0615
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.004	0.0612	0.3211
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0253	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0037	0.0467	0.2358
Trypanosoma cruzi	DNA polymerase kappa, putative	0.006	0.1491	1
Entamoeba histolytica	hypothetical protein	0.0063	0.1625	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0063	0.1625	0.1474
Trichomonas vaginalis	modulator of drug activity B, putative	0.0063	0.1625	0.1474
Echinococcus granulosus	caspase 8	0.0044	0.0782	0.1964
Echinococcus multilocularis	caspase 3	0.0073	0.2035	0.5112
Trypanosoma brucei	DNA polymerase eta, putative	0.0034	0.0322	0.1275
Trypanosoma cruzi	metacaspase 5, putative	0.0044	0.0782	0.3935
Trichomonas vaginalis	conserved hypothetical protein	0.0253	1	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0061	0.1507	0.3785
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0034	0.0322	0.0378
Leishmania major	DNA polymerase kappa, putative	0.004	0.0612	0.3211
Echinococcus multilocularis	caspase	0.0117	0.3981	1
Trichomonas vaginalis	conserved hypothetical protein	0.0063	0.1625	0.1474
Trichomonas vaginalis	conserved hypothetical protein	0.0253	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.1507	0.4122
Brugia malayi	Cell death protein 3 precursor	0.0085	0.2594	1
Trichomonas vaginalis	conserved hypothetical protein	0.0253	1	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.006	0.1491	0.1337
Brugia malayi	hypothetical protein	0.0048	0.0934	0.2693
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0782	0.0615
Echinococcus granulosus	dna polymerase eta	0.0034	0.0322	0.0808
Trypanosoma brucei	metacaspase MCA3	0.0044	0.0782	0.4708
Trypanosoma brucei	DNA polymerase IV, putative	0.0054	0.1201	0.7835
Trypanosoma cruzi	metacaspase, putative	0.0044	0.0782	0.3935
Trypanosoma cruzi	arginine N-methyltransferase, putative	0.0048	0.0934	0.5231
Trypanosoma brucei	metacaspase	0.0044	0.0782	0.4708
Trypanosoma cruzi	DNA polymerase kappa, putative	0.006	0.1491	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0063	0.1625	0.1474
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0044	0.0782	0.0615
Trypanosoma brucei	DNA polymerase kappa, putative	0.006	0.1491	1
Trypanosoma cruzi	arginine N-methyltransferase, putative	0.0048	0.0934	0.5231
Trypanosoma brucei	metacaspase MCA2	0.0044	0.0782	0.4708
Schistosoma mansoni	hypothetical protein	0.0041	0.0648	0.1237
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0061	0.1529	1
Echinococcus granulosus	caspase 3	0.0073	0.2035	0.5112
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.006	0.1491	0.1337
Trichomonas vaginalis	conserved hypothetical protein	0.0063	0.1625	0.1474
Trypanosoma cruzi	metacaspase, putative	0.0044	0.0782	0.3935
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.0044	0.0782	0.1588
Trichomonas vaginalis	modulator of drug activity B, putative	0.0063	0.1625	0.1474
Trichomonas vaginalis	modulator of drug activity B, putative	0.0063	0.1625	0.1474
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0782	0.0615
Trichomonas vaginalis	conserved hypothetical protein	0.019	0.7211	0.716
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.1507	0.4122
Trichomonas vaginalis	modulator of drug activity B, putative	0.0063	0.1625	0.1474
Trichomonas vaginalis	modulator of drug activity B, putative	0.0063	0.1625	0.1474
Trichomonas vaginalis	conserved hypothetical protein	0.0063	0.1625	0.1474
Giardia lamblia	NADPH oxidoreductase, putative	0.0253	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.1507	0.4122
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0053	0.119	0.3819
Trichomonas vaginalis	conserved hypothetical protein	0.0253	1	1
Leishmania major	DNA polymerase eta, putative	0.0034	0.0322	0.1064
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0044	0.0782	0.4545
Trypanosoma brucei	DNA polymerase kappa, putative	0.006	0.1491	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.2594	1
Trypanosoma brucei	DNA polymerase IV, putative	0.006	0.1491	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0044	0.0782	0.0615
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0061	0.1529	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.006	0.1491	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.006	0.1491	1
Schistosoma mansoni	caspase-3 (C14 family)	0.0117	0.3981	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0034	0.0322	0.0808
Trichomonas vaginalis	modulator of drug activity B, putative	0.0063	0.1625	0.1474
Entamoeba histolytica	hypothetical protein	0.0048	0.0934	0.4695
Trichomonas vaginalis	modulator of drug activity B, putative	0.0063	0.1625	0.1474
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0063	0.1625	0.1474
Trypanosoma brucei	DNA polymerase kappa, putative	0.0037	0.0467	0.2358
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0782	0.0615
Echinococcus granulosus	protein arginine methyltransferase	0.003	0.0178	0.0446
Trichomonas vaginalis	modulator of drug activity B, putative	0.0063	0.1625	0.1474
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.004	0.0612	0.2403
Echinococcus multilocularis	caspase 2	0.0085	0.2594	0.6516
Trichomonas vaginalis	conserved hypothetical protein	0.0253	1	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0063	0.1625	0.1474
Echinococcus multilocularis	caspase 8	0.0044	0.0782	0.1964
Plasmodium falciparum	metacaspase 1	0.0044	0.0782	1
Trichomonas vaginalis	conserved hypothetical protein	0.0063	0.1625	0.1474
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0034	0.0322	0.0808
Brugia malayi	hypothetical protein	0.0041	0.0648	0.1437
Trichomonas vaginalis	conserved hypothetical protein	0.0063	0.1625	0.1474
Plasmodium falciparum	metacaspase-like protein	0.0044	0.0782	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0044	0.0782	0.0615
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0061	0.1507	0.9815
Echinococcus granulosus	caspase	0.0117	0.3981	1
Schistosoma mansoni	caspase-7 (C14 family)	0.0117	0.3981	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0063	0.1625	0.1474
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0044	0.0782	0.4545
Echinococcus multilocularis	protein arginine N methyltransferase 8	0.003	0.0178	0.0446
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0061	0.1529	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0063	0.1625	0.1474
Trichomonas vaginalis	conserved hypothetical protein	0.0063	0.1625	0.1474
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0034	0.0322	0.0378
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0044	0.0782	0.0615
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.0044	0.0782	0.2025
Trypanosoma cruzi	metacaspase, putative	0.0044	0.0782	0.3935
Plasmodium vivax	hypothetical protein, conserved	0.0044	0.0782	1
Giardia lamblia	NADPH oxidoreductase, putative	0.0253	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0782	0.0615
Trichomonas vaginalis	modulator of drug activity B, putative	0.0063	0.1625	0.1474
Trichomonas vaginalis	conserved hypothetical protein	0.0253	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.006	0.1491	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0044	0.0782	0.0615
Toxoplasma gondii	aldehyde dehydrogenase	0.0061	0.1507	1
Trichomonas vaginalis	conserved hypothetical protein	0.0253	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.006	0.1491	1

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: CHEMBL2440881

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 1795146