TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 346.358 | Formula: C20H15FN4O
H donors: 2 H acceptors: 3 LogP: 3.48 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)c1ccc(c(n1)C)C(=O)Nc1ccc2c(c1)[nH]nc2
InChi: 1S/C20H15FN4O/c1-12-17(8-9-18(23-12)13-2-5-15(21)6-3-13)20(26)24-16-7-4-14-11-22-25-19(14)10-16/h2-11H,1H3,(H,22,25)(H,24,26)
InChiKey: OGRUKCFOFZFAQV-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	glyceraldehyde-3-phosphate dehydrogenase GAPDH1	0.0077	0.4016	1
Onchocerca volvulus		0.004	0.1576	1
Echinococcus multilocularis	Polycystic kidney disease protein	0.0022	0.0347	0.022
Brugia malayi	ThiF family protein	0.0053	0.2414	0.2414
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0077	0.4016	0.4016
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0077	0.4016	1
Plasmodium falciparum	glyceraldehyde-3-phosphate dehydrogenase	0.0077	0.4016	1
Brugia malayi	phospholipase C homolog	0.003	0.0853	0.0853
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.005	0.2241	0.2139
Schistosoma mansoni	phospholipase C-like protein 2 plc-L2	0.003	0.0853	0.0524
Echinococcus granulosus	RUN	0.0022	0.0347	0.0231
Mycobacterium tuberculosis	Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH)	0.0027	0.0647	0.5
Plasmodium falciparum	SUMO-activating enzyme subunit 1	0.0053	0.2414	0.6012
Loa Loa (eye worm)	hypothetical protein	0.0053	0.2414	0.2414
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2479	0.2479
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0077	0.4016	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.005	0.2237	0.2236
Chlamydia trachomatis	glyceraldehyde-3-phosphate dehydrogenase	0.0077	0.4016	0.5
Schistosoma mansoni	CREB-binding protein 1 (SmCBP1)	0.0119	0.6828	0.6714
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0022	0.0347	0.022
Echinococcus granulosus	1-Phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta-4	0.004	0.1576	0.1534
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0123	0.7135	0.7135
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0077	0.4016	1
Echinococcus granulosus	CREB binding protein	0.0075	0.3881	0.398
Plasmodium falciparum	histone acetyltransferase GCN5	0.0044	0.1833	0.4565
Loa Loa (eye worm)	Plcb4 protein	0.0039	0.1508	0.1508
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0077	0.4016	1
Onchocerca volvulus		0.004	0.1576	1
Brugia malayi	Phosphatidylinositol-specific phospholipase C, X domain containing protein	0.0018	0.0068	0.0068
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0077	0.4016	0.3937
Wolbachia endosymbiont of Brugia malayi	glyceraldehyde-3-phosphate dehydrogenase, GapA	0.0077	0.4016	0.5
Mycobacterium leprae	Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH)	0.0027	0.0647	0.5
Plasmodium vivax	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0077	0.4016	1
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0166	1	1
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0077	0.4016	0.4122
Schistosoma mansoni	sumo-1-activating enzyme E1a	0.0053	0.2414	0.2141
Schistosoma mansoni	phospholipase C beta	0.0039	0.1508	0.1202
Brugia malayi	TAZ zinc finger family protein	0.0119	0.6828	0.6828
Echinococcus granulosus	SUMO activating enzyme subunit 1	0.0053	0.2414	0.2423
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.0053	0.2421	0.2421
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0077	0.4016	1
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0077	0.4016	1
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.005	0.2241	0.4737
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0077	0.4016	0.4122
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.005	0.2238	0.1855
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.0077	0.4016	1
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0077	0.4016	1
Leishmania major	glyceraldehyde-3-phosphate dehydrogenase-like protein	0.005	0.2238	0.5574
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0347	0.0347
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.005	0.2241	0.2241
Echinococcus multilocularis	CREB binding protein	0.0083	0.4412	0.4339
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0132	0.7712	0.8043
Loa Loa (eye worm)	hypothetical protein	0.004	0.1576	0.1576
Echinococcus granulosus	lipoxygenase domain containing protein	0.0022	0.0347	0.0231
Brugia malayi	1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta 4	0.0039	0.1508	0.1508
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.005	0.2237	0.5572
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0077	0.4016	0.3937
Plasmodium vivax	ubiquitin activating enzyme, putative	0.0053	0.2414	0.6012
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.005	0.2237	0.5495
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH2	0.0077	0.4016	1
Brugia malayi	glyceraldehyde 3-phosphate dehydrogenase	0.0024	0.0463	0.0463
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0077	0.4016	1
Brugia malayi	hypothetical protein	0.0022	0.0347	0.0347
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative	0.0024	0.0463	0.1002
Loa Loa (eye worm)	hypothetical protein	0.004	0.1576	0.1576
Echinococcus granulosus	lipoxygenase domain containing protein	0.0022	0.0347	0.0231
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0077	0.4016	1
Brugia malayi	Variant SH3 domain containing protein	0.0123	0.7135	0.7135
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0024	0.0463	0.1002
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0077	0.4016	0.38
Loa Loa (eye worm)	CBP-B	0.0084	0.4479	0.4479
Echinococcus multilocularis	RUN	0.0022	0.0347	0.022
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative	0.0024	0.0463	0.1002
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0022	0.0347	0.022
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0077	0.4016	0.38
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0077	0.4016	1
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.005	0.2238	0.5497
Brugia malayi	Doublecortin family protein	0.0022	0.0347	0.0347
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0077	0.4016	0.38
Loa Loa (eye worm)	doublecortin family protein	0.0022	0.0347	0.0347
Mycobacterium ulcerans	glyceraldehyde 3-phosphate dehydrogenase Gap	0.0077	0.4016	0.5
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0026	0.0644	0.0644
Echinococcus multilocularis	SUMO activating enzyme subunit 1	0.0053	0.2414	0.2315
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.0053	0.2421	0.2421
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0077	0.4016	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0077	0.4016	1
Plasmodium vivax	multidomain scavenger receptor, putative	0.0022	0.0347	0.0865
Echinococcus granulosus	Polycystic kidney disease protein	0.0022	0.0347	0.0231
Schistosoma mansoni	lipoxygenase	0.0092	0.5051	0.4873
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.005	0.2238	0.5497
Toxoplasma gondii	hypothetical protein	0.0053	0.2414	0.5943
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0077	0.4016	1
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.005	0.2241	0.2239
Schistosoma mansoni	lipoxygenase	0.0132	0.7712	0.7629
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0077	0.4016	1
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.005	0.2241	0.2241
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0024	0.0463	0.1002
Plasmodium falciparum	LCCL domain-containing protein	0.0022	0.0347	0.0865
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0077	0.4016	1
Echinococcus multilocularis	1 phosphatidylinositol 4,5 bisphosphate	0.004	0.1576	0.1465
Brugia malayi	hypothetical protein	0.0022	0.0347	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0347	0.0347
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, cytosolic	0.0077	0.4016	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0159	0.9557	1
Trypanosoma brucei	glyceraldehyde-3-phosphate dehydrogenase, putative	0.005	0.2238	0.5497
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.005	0.2237	0.4726
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0024	0.0463	0.1002
Loa Loa (eye worm)	acetyltransferase	0.0166	1	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.005	0.2237	0.5495
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0132	0.7712	0.7682
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0077	0.4016	0.38
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0077	0.4016	1
Treponema pallidum	glyceraldehyde 3-phosphate dehydrogenase (gap)	0.0077	0.4016	0.5
Echinococcus granulosus	CREB binding protein	0.0119	0.6828	0.7106
Schistosoma mansoni	CREB-binding protein 2	0.0119	0.6828	0.6714
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0077	0.4016	1
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0077	0.4016	1
Loa Loa (eye worm)	phosphatidylinositol-specific phospholipase C	0.0018	0.0068	0.0068
Leishmania major	phospholipase c-like protein	0.0018	0.0068	0.0169
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.005	0.2241	0.4737
Schistosoma mansoni	sumo-1-activating enzyme E1a	0.005	0.219	0.1909
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0166	1	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.005	0.2237	0.4726
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0077	0.4016	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.2241	0.2241

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: CHEMBL477588

Bibliographic References

No literature references available for this target.

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Detailed information for compound 977815