TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 320.342 | Formula: C19H16N2O3
H donors: 1 H acceptors: 3 LogP: 2.86 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(cc1)/C=C\1/C(=NN(C1=O)C(=O)Cc1ccccc1)C
InChi: 1S/C19H16N2O3/c1-13-17(11-15-7-9-16(22)10-8-15)19(24)21(20-13)18(23)12-14-5-3-2-4-6-14/h2-11,22H,12H2,1H3/b17-11-
InChiKey: DMXHTPQLIBXFEJ-BOPFTXTBSA-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	conserved hypothetical protein	0.004	0.0029	0.0266
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0101	0.0182	0.4327
Echinococcus granulosus	serine protein kinase ATM	0.0035	0.0019	0.0019
Echinococcus granulosus	tumor protein p63	0.0707	0.1685	0.1691
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0018	0.0018
Loa Loa (eye worm)	hypothetical protein	0.4041	0.9964	1
Schistosoma mansoni	vam6/vps39 related	0.1195	0.2898	0.2898
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.004	0.0029	0.039
Trichomonas vaginalis	PIKK family atypical protein kinase	0.014	0.0277	0.684
Schistosoma mansoni	hypothetical protein	0.1195	0.2898	0.2898
Brugia malayi	Temporarily assigned gene name protein 59	0.1195	0.2898	0.2898
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0111	0.0206	0.4963
Echinococcus granulosus	serine:threonine protein kinase mig 15	0.4041	0.9964	1
Schistosoma mansoni	Smad4	0.0034	0.0014	0.0014
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0188	0.0396	0.1312
Schistosoma mansoni	hypothetical protein	0.0035	0.0018	0.0018
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.121	0.2934	0.3321
Echinococcus granulosus	protein kinase	0.2861	0.7033	0.7059
Onchocerca volvulus		0.0103	0.0187	0.0646
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0014	0.0014
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0078	0.0124	0.0366
Giardia lamblia	GTOR	0.0188	0.0396	0.5
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0034	0.0014	0.0016
Echinococcus multilocularis	serine protein kinase ATM	0.0035	0.0019	0.0021
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0063	0.0087	0.0237
Echinococcus multilocularis	tumor protein p63	0.0707	0.1685	0.1907
Trichomonas vaginalis	PIKK family atypical protein kinase	0.014	0.0277	0.684
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0063	0.0087	0.0237
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0035	0.0019	0.0019
Trichomonas vaginalis	PIKK family atypical protein kinase	0.005	0.0055	0.0976
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.1195	0.2898	0.2898
Schistosoma mansoni	protein kinase	0.121	0.2934	0.2934
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0188	0.0396	0.1312
Trichomonas vaginalis	PIKK family atypical protein kinase	0.014	0.0277	0.684
Trypanosoma cruzi	target of rapamycin kinase 3	0.0149	0.0301	0.0982
Trichomonas vaginalis	PIKK family atypical protein kinase	0.014	0.0277	0.684
Brugia malayi	hypothetical protein	0.1195	0.2898	0.2898
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0018	0.0018
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0035	0.0019	0.0019
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0149	0.0301	0.0982
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.0209	0.5037
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0063	0.0087	0.1803
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0188	0.0396	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0496	0.1163	0.1167
Schistosoma mansoni	serine/threonine protein kinase	0.121	0.2934	0.2934
Brugia malayi	MH1 domain containing protein	0.0034	0.0014	0.0014
Schistosoma mansoni	cellular tumor antigen P53	0.0103	0.0187	0.0187
Entamoeba histolytica	hypothetical protein	0.0148	0.0298	0.7407
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.01	0.01
Brugia malayi	MH2 domain containing protein	0.0034	0.0014	0.0014
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1195	0.2898	1
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0014	0.0014
Loa Loa (eye worm)	STE/STE20/MSN protein kinase	0.2861	0.7033	0.7059
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0188	0.0396	0.1312
Schistosoma mansoni	smad	0.0034	0.0014	0.0014
Brugia malayi	TAR-binding protein	0.0068	0.01	0.01
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0059	0.0059
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.121	0.2934	0.2945
Loa Loa (eye worm)	Smad1	0.0034	0.0014	0.0014
Schistosoma mansoni	hypothetical protein	0.0148	0.0298	0.0298
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0101	0.0182	0.4316
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0035	0.0019	0.0019
Brugia malayi	MH2 domain containing protein	0.0034	0.0014	0.0014
Echinococcus granulosus	Vam6:Vps39 protein	0.1195	0.2898	0.2908
Brugia malayi	hypothetical protein	0.0148	0.0298	0.0298
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0019	0.0019
Loa Loa (eye worm)	STE/STE20/KHS protein kinase	0.121	0.2934	0.2945
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0188	0.0396	1
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0034	0.0014	0.0014
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0149	0.0301	0.7477
Echinococcus multilocularis	microtubule associated protein 2	0.3586	0.8833	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0149	0.0301	0.7477
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0035	0.0019	0.0021
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0063	0.0087	0.0237
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0148	0.0298	0.0299
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0101	0.0182	0.4327
Brugia malayi	Protein kinase domain containing protein	0.121	0.2934	0.2934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0149	0.0301	0.7477
Entamoeba histolytica	hypothetical protein	0.0148	0.0298	0.7407
Trichomonas vaginalis	PIKK family atypical protein kinase	0.016	0.0328	0.8197
Echinococcus multilocularis	GTPase activating Rap:RanGAP domain 3	0.1195	0.2898	0.328
Trypanosoma brucei	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1195	0.2898	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.014	0.0277	0.684
Echinococcus granulosus	GTPase activating Rap:RanGAP domain 3	0.1195	0.2898	0.2908
Schistosoma mansoni	transcription factor LCR-F1	0.0148	0.0298	0.0298
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.0209	0.5037
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0063	0.0087	0.1803
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.01	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0101	0.0182	0.4327
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0188	0.0396	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0149	0.0301	0.7477
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0034	0.0014	0.0016
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0068	0.01	0.01
Schistosoma mansoni	protein kinase	0.2861	0.7033	0.7033
Loa Loa (eye worm)	hypothetical protein	0.1195	0.2898	0.2908
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0187	0.0188
Schistosoma mansoni	serine/threonine protein kinase	0.121	0.2934	0.2934
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1195	0.2898	1
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.01	0.01
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0188	0.0396	0.1312
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0188	0.0396	0.0396
Loa Loa (eye worm)	MH2 domain-containing protein	0.0034	0.0014	0.0014
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0149	0.0301	0.6934
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.121	0.2934	0.2945
Loa Loa (eye worm)	TAR-binding protein	0.0068	0.01	0.01
Echinococcus granulosus	smad	0.0034	0.0014	0.0014
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0126	0.0243	0.594
Echinococcus multilocularis	smad	0.0034	0.0014	0.0016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.0209	0.5037
Loa Loa (eye worm)	RNA binding protein	0.0068	0.01	0.01
Entamoeba histolytica	hypothetical protein	0.0148	0.0298	0.7407
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0089	0.0151	0.0459
Echinococcus multilocularis		0.2861	0.7033	0.7962
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0063	0.0087	0.1803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0063	0.0087	0.1803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0101	0.0182	0.4327
Brugia malayi	MH1 domain containing protein	0.0034	0.0014	0.0014
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0059	0.0059
Schistosoma mansoni	rap gtpase-activating protein	0.1195	0.2898	0.2898
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.121	0.2934	0.3321
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0063	0.0087	0.1803
Echinococcus multilocularis	Smad4	0.0034	0.0014	0.0016
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0034	0.0014	0.0014
Entamoeba histolytica	hypothetical protein	0.0148	0.0298	0.7407
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0188	0.0396	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0063	0.0087	0.0087
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0063	0.0087	0.0087
Brugia malayi	Smad1	0.0034	0.0014	0.0014
Echinococcus multilocularis	tar DNA binding protein	0.0068	0.01	0.0113
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0188	0.0396	0.0396
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0063	0.0087	0.0087
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0059	0.0059
Echinococcus granulosus	mothers against decapentaplegic 5	0.0034	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.004	0.0029	0.0029
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0063	0.0087	0.0098
Brugia malayi	RNA recognition motif domain containing protein	0.0068	0.01	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0149	0.0301	0.7477
Loa Loa (eye worm)	MH1 domain-containing protein	0.0034	0.0014	0.0014
Echinococcus granulosus	Smad4	0.0034	0.0014	0.0014
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0122	0.0233	0.5673
Loa Loa (eye worm)	hypothetical protein	0.1195	0.2898	0.2908
Loa Loa (eye worm)	phosphatidylinositol 3	0.0188	0.0396	0.0398
Schistosoma mansoni	protein kinase	0.4056	1	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0025	0.0025
Trichomonas vaginalis	PIKK family atypical protein kinase	0.014	0.0277	0.684
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0101	0.0182	0.4316
Loa Loa (eye worm)	MH2 domain-containing protein	0.0496	0.1163	0.1167
Schistosoma mansoni	microtubule-associated protein tau	0.3586	0.8833	0.8833
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0101	0.0182	0.4316
Echinococcus granulosus	microtubule associated protein 2	0.3586	0.8833	0.8866
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0188	0.0396	0.0398
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.01	0.01
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.121	0.2934	0.3321
Toxoplasma gondii	target of rapamycin (TOR), putative	0.014	0.0277	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0111	0.0206	0.4963
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0188	0.0396	1
Onchocerca volvulus		0.1195	0.2898	1
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.01	0.01
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.1195	0.2898	0.2898
Loa Loa (eye worm)	hypothetical protein	0.1195	0.2898	0.2908
Brugia malayi	RNA binding protein	0.0068	0.01	0.01
Brugia malayi	MH2 domain containing protein	0.0496	0.1163	0.1163
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.121	0.2934	0.2945
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0035	0.0019	0.0019
Trichomonas vaginalis	PIKK family atypical protein kinase	0.014	0.0277	0.684
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0188	0.0396	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0148	0.0298	0.0338
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0035	0.0019	0.0019
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0188	0.0396	0.0449
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0063	0.0087	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0059	0.0059
Loa Loa (eye worm)	phosphatidylinositol 3	0.0063	0.0087	0.0087
Echinococcus granulosus	tar DNA binding protein	0.0068	0.01	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0188	0.0396	1

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1985712

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 1608405