TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 391.42 | Formula: C22H21N3O4
H donors: 2 H acceptors: 3 LogP: 2.52 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)Nc1ccc(cc1)NC(=O)c1cccn(c1=O)OCc1cccc(c1)C
InChi: 1S/C22H21N3O4/c1-15-5-3-6-17(13-15)14-29-25-12-4-7-20(22(25)28)21(27)24-19-10-8-18(9-11-19)23-16(2)26/h3-13H,14H2,1-2H3,(H,23,26)(H,24,27)
InChiKey: PCKZVNZHKGEOPP-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	Cell division cycle 2 protein kinase	0.0104	0.1178	0.1187
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0964	0.0434
Loa Loa (eye worm)	haspin protein kinase	0.0577	0.9919	0.9914
Trichomonas vaginalis	AGC family protein kinase	0.0104	0.1178	0.0349
Brugia malayi	cyclin-dependent kinase 7 homolog	0.0104	0.1178	0.1187
Echinococcus multilocularis	dual specificity	0.045	0.7567	0.7629
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0092	0.0947	0.0955
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.045	0.7567	1
Loa Loa (eye worm)	carboxylesterase	0.0092	0.0947	0.0415
Trichomonas vaginalis	CMGC family protein kinase	0.0104	0.1178	0.0349
Echinococcus granulosus	mitogen activated protein kinase 15	0.0104	0.1178	0.1187
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.045	0.7567	1
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Echinococcus granulosus	cyclin dependent kinase 9	0.0104	0.1178	0.1187
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Brugia malayi	Carboxylesterase family protein	0.0092	0.0947	0.0955
Echinococcus granulosus	dual specificity	0.045	0.7567	0.7629
Echinococcus granulosus	neuroligin	0.0092	0.0947	0.0955
Entamoeba histolytica	hypothetical protein	0.01	0.1097	0.1449
Echinococcus granulosus	carboxylesterase 5A	0.0542	0.9275	0.935
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0104	0.1178	0.0203
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0542	0.9275	0.935
Onchocerca volvulus		0.0131	0.1676	1
Onchocerca volvulus		0.0092	0.0947	0.1868
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Schistosoma mansoni	acetylcholinesterase	0.0092	0.0947	0.0955
Trichomonas vaginalis	serine/threonine kinase, putative	0.0104	0.1178	0.0349
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Trichomonas vaginalis	CMGC family protein kinase	0.045	0.7567	1
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Brugia malayi	Protein kinase domain containing protein	0.0104	0.1178	0.1187
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0092	0.0947	0.0955
Entamoeba histolytica	cell division protein kinase 2, putative	0.0104	0.1178	0.1556
Entamoeba histolytica	protein kinase, putative	0.045	0.7567	1
Trichomonas vaginalis	CMGC family protein kinase	0.045	0.7567	1
Plasmodium falciparum	conserved protein, unknown function	0.0131	0.1676	1
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.045	0.7567	1
Schistosoma mansoni	protein kinase	0.0104	0.1178	0.1187
Loa Loa (eye worm)	haspin protein kinase	0.0577	0.9919	0.9914
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0947	0.0415
Echinococcus multilocularis	dual specificity	0.045	0.7567	0.7629
Echinococcus multilocularis	carboxylesterase 5A	0.0542	0.9275	0.935
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Trichomonas vaginalis	AGC family protein kinase	0.0104	0.1178	0.0349
Schistosoma mansoni	serine/threonine protein kinase	0.045	0.7567	0.7629
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0092	0.0947	0.0955
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Onchocerca volvulus	Putative endochitinase	0.0093	0.0963	0.2052
Schistosoma mansoni	hypothetical protein	0.0577	0.9919	1
Echinococcus granulosus	dual specificity	0.0097	0.1045	0.1054
Entamoeba histolytica	protein kinase, putative	0.0097	0.1045	0.1381
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0947	0.0415
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0092	0.0947	0.0955
Schistosoma mansoni	BC026374 protein (S09 family)	0.0092	0.0947	0.0955
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0577	0.9919	1
Schistosoma mansoni	hypothetical protein	0.019	0.2769	0.2791
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.045	0.7567	1
Brugia malayi	Carboxylesterase family protein	0.0092	0.0947	0.0955
Onchocerca volvulus		0.0092	0.0947	0.1868
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Echinococcus granulosus	dual specificity	0.045	0.7567	0.7629
Schistosoma mansoni	gliotactin	0.0092	0.0947	0.0955
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0097	0.1045	0.0391
Loa Loa (eye worm)	hypothetical protein	0.0542	0.9275	0.9232
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0104	0.1178	0.066
Echinococcus multilocularis	neuroligin	0.0092	0.0947	0.0955
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Onchocerca volvulus		0.0131	0.1676	1
Brugia malayi	Protein kinase domain containing protein	0.0097	0.1045	0.1054
Brugia malayi	Carboxylesterase family protein	0.0092	0.0947	0.0955
Giardia lamblia	Kinase, CMGC DYRK	0.045	0.7567	1
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Schistosoma mansoni	hypothetical protein	0.0131	0.1676	0.169
Onchocerca volvulus		0.0092	0.0947	0.1868
Trichomonas vaginalis	CMGC family protein kinase	0.0104	0.1178	0.0349
Trichomonas vaginalis	CMGC family protein kinase	0.0104	0.1178	0.0349
Echinococcus multilocularis	geminin	0.019	0.2769	0.2791
Trichomonas vaginalis	CMGC family protein kinase	0.045	0.7567	1
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Echinococcus multilocularis	cyclin dependent kinase 9	0.0104	0.1178	0.1187
Entamoeba histolytica	protein kinase domain containing protein	0.045	0.7567	1
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Entamoeba histolytica	hypothetical protein	0.0097	0.1045	0.1381
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Echinococcus multilocularis	serine:threonine protein kinase NLK	0.0104	0.1178	0.1187
Loa Loa (eye worm)	acetylcholinesterase 1	0.0542	0.9275	0.9232
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0097	0.1045	0.0519
Trypanosoma brucei	protein kinase, putative	0.0104	0.1178	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1676	0.1187
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0947	0.0415
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Schistosoma mansoni	serine/threonine protein kinase	0.0104	0.1178	0.1187
Brugia malayi	hypothetical protein	0.0577	0.9919	1
Plasmodium vivax	hypothetical protein, conserved	0.0131	0.1676	1
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0947	0.0415
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Schistosoma mansoni	serine/threonine kinase	0.0104	0.1178	0.1187
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0577	0.9919	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0092	0.0947	1
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0947	0.0415
Trichomonas vaginalis	protein kinase atmrk1, putative	0.0104	0.1178	0.0349
Brugia malayi	endochitinase	0.0083	0.0779	0.0786
Echinococcus multilocularis	Hepatocellular carcinoma associated antigen 59	0.0131	0.1676	0.169
Echinococcus multilocularis	hypothetical protein	0.01	0.1097	0.1106
Brugia malayi	Cell division protein kinase 2	0.0104	0.1178	0.1187
Echinococcus multilocularis	acetylcholinesterase	0.0542	0.9275	0.935
Echinococcus multilocularis	dual specificity	0.045	0.7567	0.7629
Loa Loa (eye worm)	CMGC/CDK/CRK7 protein kinase	0.0104	0.1178	0.066
Brugia malayi	GSG2	0.0577	0.9919	1
Loa Loa (eye worm)	carboxylesterase	0.0542	0.9275	0.9232
Mycobacterium ulcerans	carboxylesterase, LipT	0.0092	0.0947	1
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Trichomonas vaginalis	AGC family protein kinase	0.0104	0.1178	0.0349
Onchocerca volvulus	Putative endochitinase	0.0093	0.0963	0.2052
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Echinococcus multilocularis	dual specificity	0.0097	0.1045	0.1054
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.045	0.7567	0.7424
Brugia malayi	hypothetical protein	0.0092	0.0947	0.0955
Entamoeba histolytica	chitinase, putative	0.0083	0.0779	0.103
Brugia malayi	Carboxylesterase family protein	0.0542	0.9275	0.935
Loa Loa (eye worm)	cuticular endochitinase	0.0083	0.0779	0.0238
Entamoeba histolytica	protein kinase domain containing protein	0.0104	0.1178	0.1556
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.045	0.7567	0.7629
Trichomonas vaginalis	CMGC family protein kinase	0.045	0.7567	1
Schistosoma mansoni	serine/threonine protein kinase	0.0097	0.1045	0.1054
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0092	0.0947	0.0955
Brugia malayi	Hepatocellular carcinoma-associated antigen 59 family protein	0.0131	0.1676	0.169
Loa Loa (eye worm)	chitinase I	0.0083	0.0779	0.0238
Echinococcus multilocularis	acetylcholinesterase	0.0542	0.9275	0.935
Trichomonas vaginalis	G protein-coupled receptor kinase, putative	0.0104	0.1178	0.0349
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Schistosoma mansoni	hypothetical protein	0.01	0.1097	0.1106
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Onchocerca volvulus		0.0092	0.0947	0.1868
Brugia malayi	endochitinase	0.0093	0.0963	0.0971
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0577	0.9919	1
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Trichomonas vaginalis	CMGC family protein kinase	0.0104	0.1178	0.0349
Echinococcus granulosus	serine:threonine protein kinase NLK	0.0104	0.1178	0.1187
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0947	0.0415
Echinococcus granulosus	Pfam-B_8186 domain containing protein	0.01	0.1097	0.1106
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Echinococcus granulosus	acetylcholinesterase	0.0542	0.9275	0.935
Onchocerca volvulus		0.0092	0.0947	0.1868
Echinococcus granulosus	Cell division cycle 2 protein kinase	0.0104	0.1178	0.1187
Trichomonas vaginalis	AGC family protein kinase	0.0104	0.1178	0.0349
Leishmania major	mitogen-activated protein kinase, putative,map kinase-like protein	0.0104	0.1178	0.0587
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Entamoeba histolytica	protein kinase, putative	0.0097	0.1045	0.1381
Trichomonas vaginalis	AGC family protein kinase	0.0104	0.1178	0.0349
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1676	0.1187
Brugia malayi	Carboxylesterase family protein	0.0542	0.9275	0.935
Onchocerca volvulus	Putative endochitinase	0.0093	0.0963	0.2052
Echinococcus granulosus	BC026374 protein S09 family	0.0092	0.0947	0.0955
Echinococcus multilocularis	para nitrobenzyl esterase	0.0092	0.0947	0.0955
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0577	0.9919	1
Loa Loa (eye worm)	hypothetical protein	0.0542	0.9275	0.9232
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Brugia malayi	Carboxylesterase family protein	0.0092	0.0947	0.0955
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Trypanosoma brucei	Mitogen-activated protein kinase 10, putative	0.0104	0.1178	0.0203
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Trichomonas vaginalis	CMGC family protein kinase	0.045	0.7567	1
Loa Loa (eye worm)	carboxylesterase	0.0092	0.0947	0.0415
Trichomonas vaginalis	AGC family protein kinase	0.0104	0.1178	0.0349
Brugia malayi	Endochitinase	0.0093	0.0963	0.0971
Trichomonas vaginalis	AGC family protein kinase	0.0104	0.1178	0.0349
Echinococcus granulosus	geminin	0.019	0.2769	0.2791
Echinococcus granulosus	acetylcholinesterase	0.0542	0.9275	0.935
Echinococcus granulosus	Hepatocellular carcinoma associated antigen 59	0.0131	0.1676	0.169
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0104	0.1178	0.0203
Schistosoma mansoni	hypothetical protein	0.019	0.2769	0.2791
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.0104	0.1178	0.0203
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0577	0.9919	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0092	0.0947	1
Loa Loa (eye worm)	microfilarial chitinase	0.008	0.0739	0.0195
Leishmania major	serine/threonine kinase-like protein, putative	0.0104	0.1178	0.0587
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0092	0.0947	0.0955
Echinococcus granulosus	para nitrobenzyl esterase	0.0092	0.0947	0.0955
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0964	0.0434
Trichomonas vaginalis	CMGC family protein kinase	0.045	0.7567	1
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0947	0.0415
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0092	0.0947	1
Entamoeba histolytica	protein kinase domain containing protein	0.0097	0.1045	0.1381
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0092	0.0947	0.0955
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349
Echinococcus granulosus	dual specificity	0.045	0.7567	0.7629
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.1178	0.0349

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 836992