TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 370.444 | Formula: C24H22N2O2
H donors: 0 H acceptors: 0 LogP: 4.56 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cccc2c1/N=C/c1ccccc1/C=N/c1c(OCCO2)cccc1C
InChi: 1S/C24H22N2O2/c1-17-7-5-11-21-23(17)25-15-19-9-3-4-10-20(19)16-26-24-18(2)8-6-12-22(24)28-14-13-27-21/h3-12,15-16H,13-14H2,1-2H3/b25-15+,26-16+
InChiKey: HONVXEQPFLWISU-RYQLWAFASA-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	phosphatidylinositol 3-kinase, putative	0.0525	0.0682	0.9328
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.6555	1	1
Schistosoma mansoni	hypothetical protein	0.0222	0.0213	0.1796
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0124	0.0061	0.022
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0237	0.0235	0.308
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0557	0.0731	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0205	0.0186	0.0548
Loa Loa (eye worm)	hypothetical protein	0.0222	0.0213	0.2444
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0358	0.0423	0.5508
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0532	0.0692	0.2036
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0547	0.0716	0.2002
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0535	0.0697	0.9503
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0537	0.0699	0.1956
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0341	0.0397	0.0353
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0535	0.0697	0.9503
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0114	0.0046	0.0135
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0169	0.013	0.0907
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0557	0.0731	1
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0418	0.0516	0.6861
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0716	0.0976	0.0934
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0532	0.0692	0.9435
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0537	0.0699	0.954
Entamoeba histolytica	hypothetical protein	0.0319	0.0362	0.4623
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0169	0.013	0.1781
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0237	0.0235	0.2768
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0114	0.0046	0.0599
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0535	0.0697	0.9503
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0557	0.0731	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0114	0.0046	0.0135
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0222	0.0213	0.0168
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0336	0.0389	0.5154
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0303	0.0338	0.3146
Loa Loa (eye worm)	phosphatidylinositol 3	0.0114	0.0046	0.0526
Loa Loa (eye worm)	hypothetical protein	0.0341	0.0397	0.4559
Loa Loa (eye worm)	phosphatidylinositol 3	0.0114	0.0046	0.0526
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0557	0.0731	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0237	0.0235	0.0693
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0557	0.0731	1
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0169	0.013	0.0085
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0545	0.0712	0.9723
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0303	0.0338	0.4427
Loa Loa (eye worm)	hypothetical protein	0.0336	0.0389	0.4469
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0237	0.0235	0.3222
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0315	0.0356	0.4529
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0545	0.0712	0.9723
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0114	0.0046	0.0599
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0545	0.0712	0.9723
Trichomonas vaginalis	conserved hypothetical protein	0.0189	0.0162	0.1698
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0303	0.0338	0.0294
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0557	0.0731	1
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0169	0.013	0.1231
Toxoplasma gondii	FATC domain-containing protein	0.0319	0.0362	0.4754
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0169	0.013	0.0364
Echinococcus multilocularis	serine protein kinase ATM	0.0319	0.0362	0.0318
Trypanosoma cruzi	target of rapamycin kinase 3	0.0547	0.0716	0.2106
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0169	0.013	0.0383
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0169	0.013	0.1231
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0557	0.0731	0.7365
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0535	0.0697	0.9503
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0169	0.013	0.1231
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0716	0.0976	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0169	0.013	0.1231
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0114	0.0046	0.0627
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0237	0.0235	0.2768
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0273	0.0292	0.3588
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0169	0.013	0.0085
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0557	0.0731	1
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0169	0.013	0.1266
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0538	0.07	0.9559
Echinococcus multilocularis	Zinc finger, PHD finger	0.0169	0.013	0.0085
Loa Loa (eye worm)	phosphatidylinositol 3	0.0123	0.0059	0.0679
Loa Loa (eye worm)	hypothetical protein	0.0205	0.0186	0.2138
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0716	0.0976	0.0934
Echinococcus granulosus	serine protein kinase ATM	0.0319	0.0362	0.0318
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0557	0.0731	0.2044
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0545	0.0712	0.9723
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0134	0.0076	0.104
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0464	0.0587	0.7897
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0428	0.0531	0.7077
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0114	0.0046	0.0128
Loa Loa (eye worm)	hypothetical protein	0.0191	0.0165	0.1892
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0169	0.013	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0557	0.0731	0.956
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0323	0.0368	0.4712
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0545	0.0712	0.9723
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0341	0.0397	0.0353
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0535	0.0697	0.9503
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0545	0.0712	0.9723
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0532	0.0692	0.9435
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0169	0.013	0.1702
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0237	0.0235	0.2768
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0532	0.0692	0.9435
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0319	0.0362	0.1066
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0169	0.013	1
Leishmania major	phosphatidylinositol kinase, putative	0.0114	0.0046	0.0128
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0315	0.0356	0.4529
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0525	0.0682	0.9283
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0547	0.0716	0.9779
Loa Loa (eye worm)	phosphatidylinositol 3	0.0648	0.087	1
Entamoeba histolytica	hypothetical protein	0.0464	0.0587	0.7897
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0535	0.0697	0.9503
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0222	0.0213	0.0168
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0184	0.0153	0.2006
Trypanosoma cruzi	hypothetical protein, conserved	0.2284	0.3398	1
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0532	0.0692	0.9435
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0525	0.0682	0.9283
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0169	0.013	0.0383
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0319	0.0362	0.3405
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0237	0.0235	0.2768
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0537	0.0699	0.9569
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0114	0.0046	0.5
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0169	0.013	0.0907
Leishmania major	hypothetical protein, conserved	0.2398	0.3575	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0189	0.0162	0.1698
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.013	0.007	0.0206
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0114	0.0046	0.0627
Loa Loa (eye worm)	cytochrome P450 family protein	0.0178	0.0145	0.1666
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0532	0.0692	0.2036
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0579	0.0764	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0319	0.0362	0.496
Onchocerca volvulus		0.0114	0.0046	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0222	0.0213	0.2438
Loa Loa (eye worm)	hypothetical protein	0.0303	0.0338	0.3887
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0237	0.0235	0.2039
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.036	0.0425	0.554
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0169	0.013	0.1495
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0303	0.0338	0.0995
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0335	0.0387	0.4988
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0557	0.0731	0.215
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0169	0.013	0.1266
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0341	0.0397	0.5192
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0535	0.0697	0.9503
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0346	0.0404	0.5531
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0114	0.0046	0.0526
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0532	0.0692	0.9054
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0084	0	0.5
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0557	0.0731	0.0688
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0545	0.0712	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0319	0.0362	0.4742
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0114	0.0046	0.0135
Leishmania major	hypothetical protein, unknown function	0.0114	0.0046	0.0128
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0579	0.0764	0.0722
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0545	0.0712	0.9723
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0114	0.0046	0.0135
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0525	0.0682	0.9283
Mycobacterium leprae	conserved hypothetical protein	0.0114	0.0046	0.5
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0303	0.0338	0.0294
Loa Loa (eye worm)	phosphatidylinositol 3	0.0114	0.0046	0.0526
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0323	0.0368	0.4712
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0525	0.0682	0.9283
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0579	0.0764	0.7726
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0579	0.0764	0.2249
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0579	0.0764	0.0722
Brugia malayi	FAT domain containing protein	0.0222	0.0213	0.2784
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0169	0.013	0.0085
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0237	0.0235	0.2768
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0114	0.0046	0.0599
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0557	0.0731	0.2044
Trichomonas vaginalis	conserved hypothetical protein	0.0336	0.0389	0.5012
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0547	0.0716	0.9779
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0547	0.0716	0.9779
Giardia lamblia	GTOR	0.0557	0.0731	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0323	0.0368	0.4712
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0547	0.0716	0.9779
Loa Loa (eye worm)	phosphatidylinositol 3	0.0114	0.0046	0.0526
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0538	0.07	0.9559
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0547	0.0716	0.9779
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0547	0.0716	0.9794
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0123	0.0059	0.0174
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0557	0.0731	0.0688
Leishmania major	phosphatidylinositol kinase related protein, putative	0.013	0.007	0.0195
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0325	0.0372	0.4768
Loa Loa (eye worm)	phosphatidylinositol 3	0.0537	0.0699	0.8033
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0182	0.0151	0.1537
Onchocerca volvulus		0.0114	0.0046	0.5
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0557	0.0731	0.215
Brugia malayi	Cytochrome P450 family protein	0.0178	0.0145	0.1897
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0169	0.013	0.0364
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0169	0.013	0.1231
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0303	0.0338	0.4271
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0046	0.0526
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0319	0.0362	0.4623
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0428	0.0531	0.7077
Entamoeba histolytica	protein kinase rad3, putative	0.0303	0.0338	0.4271
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0525	0.0682	0.1907
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0579	0.0764	0.2249
Loa Loa (eye worm)	phosphatidylinositol 3	0.0557	0.0731	0.8394

Activities

Activity type	Activity value	Assay description	Source	Reference
IZ (functional)	= 11 mm	Antibacterial activity against Escherichia coli MTCC 722 at 1000 ug/ml after 24 hrs by agar diffusion method	ChEMBL.	18996622

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: CHEMBL564156

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 1063230