TDR Targets

Basic information

Technical information

TDR Targets ID: 757490
Name: ZINC02493157
MW: 337.412 | Formula: C21H23NO3
H donors: 0 H acceptors: 2 LogP: 4.6 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc2c(c1)C(=O)C(=O)N2CCOc1ccc(cc1)C(C)(C)C
InChi: 1S/C21H23NO3/c1-14-5-10-18-17(13-14)19(23)20(24)22(18)11-12-25-16-8-6-15(7-9-16)21(2,3)4/h5-10,13H,11-12H2,1-4H3
InChiKey: HHBCCQDJFPSIIU-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

STK214049

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
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.11	0.5263	0.5215
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0498	0.1889	0.4608
Trichomonas vaginalis	conserved hypothetical protein	0.0249	0.0493	0.1056
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0635	0.2658	0.6568
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1946	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0178	0.0099	0.0054
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0586	0.2381	0.5863
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0684	0.2934	0.727
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0635	0.2658	0.6568
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0286	0.0702	0.1587
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0586	0.2381	0.5863
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0337	0.0989	0.0989
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0697	0.3005	0.7437
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0337	0.0989	0.0899
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0337	0.0989	0.2277
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0684	0.2934	0.727
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0746	0.3281	0.3281
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0178	0.0099	0.0213
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0212	0.0287	0.0532
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1946	1	1
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0511	0.1963	0.5858
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0471	0.1741	0.4233
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0684	0.2934	0.727
Trichomonas vaginalis	conserved hypothetical protein	0.0212	0.0287	0.0532
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0374	0.1195	0.3864
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0746	0.3281	0.8153
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0635	0.2657	0.6565
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0451	0.1625	0.1542
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0746	0.3281	0.3214
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0178	0.0099	0.5
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.11	0.5263	0.5215
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0635	0.2657	0.6565
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0178	0.0099	0.0054
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0286	0.0702	0.0702
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0286	0.0702	0.0608
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0648	0.2728	0.6745
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0746	0.3281	0.8143
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0684	0.2934	0.727
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0286	0.0702	0.0608
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0337	0.0989	0.0899
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0212	0.0287	0.0287
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0684	0.2934	1
Loa Loa (eye worm)	hypothetical protein	0.029	0.0726	0.1558
Loa Loa (eye worm)	phosphatidylinositol 3	0.0746	0.3281	0.704
Loa Loa (eye worm)	hypothetical protein	0.0337	0.0989	0.2122
Trypanosoma cruzi	target of rapamycin kinase 3	0.0697	0.3005	0.3005
Echinococcus multilocularis	serine protein kinase ATM	0.0337	0.0989	0.0899
Loa Loa (eye worm)	hypothetical protein	0.0249	0.0493	0.1058
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0423	0.1472	0.3512
Entamoeba histolytica	hypothetical protein	0.0337	0.0989	0.2796
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0746	0.3281	0.8153
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0448	0.1612	0.3903
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0746	0.3281	0.3281
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0286	0.0702	0.1542
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0746	0.3281	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0436	0.1542	0.3725
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0337	0.0989	0.0989
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0684	0.2934	0.727
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0636	0.2665	0.2665
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0451	0.1625	0.1542
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.1946	1	1
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0627	0.2614	0.7905
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0746	0.3281	0.8143
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0471	0.1741	0.4233
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0337	0.0989	0.2318
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0636	0.2665	0.6584
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0249	0.0493	0.0398
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0636	0.2665	0.2591
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0586	0.2381	0.584
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.1946	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0286	0.0702	0.1587
Schistosoma mansoni	hypothetical protein	0.0249	0.0493	0.0398
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0224	0.0355	0.0655
Loa Loa (eye worm)	hypothetical protein	0.0451	0.1625	0.3488
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0746	0.3281	0.3214
Loa Loa (eye worm)	hypothetical protein	0.0212	0.0287	0.0616
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0636	0.2665	0.6584
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0635	0.2658	0.6568
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0697	0.3004	0.7448
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0636	0.2665	0.2665
Loa Loa (eye worm)	hypothetical protein	0.029	0.0726	0.1558
Entamoeba histolytica	protein kinase rad3, putative	0.0337	0.0989	0.2796
Echinococcus granulosus	serine protein kinase ATM	0.0337	0.0989	0.0899
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0485	0.1817	0.4427
Loa Loa (eye worm)	phosphatidylinositol 3	0.0876	0.4007	0.8597
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0746	0.3281	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0586	0.2381	0.5863
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0697	0.3004	0.7448
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0697	0.3004	0.7448
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0697	0.3004	0.7448
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0648	0.2728	0.6745
Giardia lamblia	GTOR	0.0746	0.3281	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0178	0.0099	0.0099
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0746	0.3281	0.8143
Loa Loa (eye worm)	hypothetical protein	0.0374	0.1195	0.2564
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0178	0.0099	0.0054
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0636	0.2665	0.8063
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0746	0.3281	0.8153
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0697	0.3004	0.7448
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0697	0.3005	0.7437
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0436	0.1542	0.3725
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0746	0.3281	0.3214
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0343	0.1023	0.2903
Toxoplasma gondii	FATC domain-containing protein	0.0337	0.0989	0.3138
Entamoeba histolytica	hypothetical protein	0.0529	0.2062	0.617
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0586	0.2381	0.5863
Loa Loa (eye worm)	phosphatidylinositol 3	0.0993	0.466	1
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0364	0.1138	0.2551
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0876	0.4007	1
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0876	0.4007	1
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0249	0.0493	0.0398
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0286	0.0702	0.1894
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0451	0.1625	0.1542
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0436	0.1542	0.3725
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0635	0.2658	0.6568
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0586	0.2381	0.584
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0337	0.0989	0.0899
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0746	0.3281	0.3214
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0684	0.2934	0.727
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.11	0.5263	0.5215
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0684	0.2934	0.727
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0286	0.0702	0.1894
Brugia malayi	FAT domain containing protein	0.0249	0.0493	0.0398
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0337	0.0989	0.0899
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0464	0.1699	0.1615
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0337	0.0989	0.0899
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0178	0.0099	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0374	0.1195	0.2842
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0746	0.3281	0.8143
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0627	0.2614	0.6456
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0876	0.4007	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0178	0.0099	0.0099
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0337	0.0989	0.0899
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0529	0.2062	0.617
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0635	0.2657	0.6565
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0337	0.0989	0.2318
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0636	0.2665	0.6584
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0286	0.0702	0.1587
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.1946	1	1
Loa Loa (eye worm)	hypothetical protein	0.0186	0.014	0.03

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 757490