TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 416.426 | Formula: C24H20N2O5
H donors: 3 H acceptors: 4 LogP: 3.83 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Cc1cccc2c1oc1c(C)c(C)ccc1c2=O)N/N=C/c1ccc(c(c1)O)O
InChi: 1S/C24H20N2O5/c1-13-6-8-18-22(30)17-5-3-4-16(24(17)31-23(18)14(13)2)11-21(29)26-25-12-15-7-9-19(27)20(28)10-15/h3-10,12,27-28H,11H2,1-2H3,(H,26,29)/b25-12+
InChiKey: VCZIYRXLRMBBJD-BRJLIKDPSA-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	target of rapamycin kinase 3, putative	0.002	0.009	0.3847
Schistosoma mansoni	hypothetical protein	0.0186	0.2123	0.2077
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0251	0.292	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.0462	0.0405
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0186	0.0338
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.002	0.009	0.0031
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0185	0.2119	0.2072
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.002	0.009	0.0031
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0235	0.0235
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.0186	0.7923
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.002	0.009	0.0031
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0027	0.0181	0.0321
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.002	0.009	0.0031
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.002	0.009	0.0031
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0462	0.0405
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Leishmania major	hypothetical protein, conserved	0.0028	0.0186	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0186	0.0338
Schistosoma mansoni	hypothetical protein	0.0186	0.2123	0.2077
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0338	0.3982	0.3988
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.0462	0.0462
Giardia lamblia	GTOR	0.002	0.009	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Echinococcus granulosus	geminin	0.0186	0.2123	0.2077
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0462	0.0405
Brugia malayi	hypothetical protein	0.0018	0.0066	0.0007
Echinococcus multilocularis	snurportin 1	0.0338	0.3982	0.3946
Toxoplasma gondii	target of rapamycin (TOR), putative	0.002	0.009	0.3847
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0223	0.2577	0.2533
Brugia malayi	hypothetical protein	0.0028	0.0186	0.0127
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.0829	1	1
Entamoeba histolytica	hypothetical protein	0.0027	0.0181	1
Schistosoma mansoni	hypothetical protein	0.0338	0.3982	0.3946
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0829	1	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0027	0.0181	0.0123
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.0517	0.0518
Schistosoma mansoni	hypothetical protein	0.0037	0.0305	0.0247
Schistosoma mansoni	protein kinase	0.0829	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0235	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.002	0.009	0.3847
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0134	0.0134
Echinococcus granulosus	serine protein kinase ATM	0.0027	0.0181	0.0123
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.002	0.009	0.3847
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0462	0.0405
Echinococcus multilocularis	importin subunit beta 1	0.0032	0.0235	0.0176
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0161	0.0251
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.002	0.009	0.0031
Echinococcus granulosus	importin subunit beta 1	0.0032	0.0235	0.0176
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Loa Loa (eye worm)	hypothetical protein	0.0828	0.9985	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0305	0.0247
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.002	0.009	0.3847
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Echinococcus multilocularis	serine protein kinase ATM	0.0027	0.0181	0.0123
Toxoplasma gondii	HEAT repeat-containing protein	0.0032	0.0235	1
Leishmania major	phosphatidylinositol kinase related protein, putative	0.002	0.0091	0.0049
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0462	0.0405
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Loa Loa (eye worm)	phosphatidylinositol 3	0.002	0.009	0.009
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0305	0.0306
Toxoplasma gondii	FATC domain-containing protein	0.0027	0.0181	0.7714
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.002	0.009	0.3847
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.002	0.009	0.0031
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0059	0.0059
Loa Loa (eye worm)	STE/STE11/ASK protein kinase	0.0251	0.292	0.2924
Loa Loa (eye worm)	phosphatidylinositol 3	0.002	0.009	0.009
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0462	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0223	0.2577	0.2581
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0462	0.0405
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0023	0.0134	0.0156
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0181	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0161	0.8917
Brugia malayi	Importin beta-1 subunit	0.0032	0.0235	0.0176
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0027	0.0181	0.0123
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0161	0.8917
Loa Loa (eye worm)	hypothetical protein	0.025	0.2904	0.2909
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.002	0.009	0.0031
Echinococcus granulosus	snurportin 1	0.0338	0.3982	0.3946
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0161	0.7437
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.0186	0.7923
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.002	0.0091	0.0002
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0235	1
Brugia malayi	RNA, U transporter 1	0.009	0.0949	0.0895
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0185	0.2119	0.2072
Plasmodium falciparum	importin beta, putative	0.0032	0.0235	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0462	0.0405
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0027	0.0181	0.7714
Schistosoma mansoni	protein kinase	0.0829	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Plasmodium vivax	importin-beta 2, putative	0.0032	0.0235	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0251	0.292	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0186	0.0186
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.0517	0.046
Entamoeba histolytica	hypothetical protein	0.0026	0.0161	0.784
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0059	0.0059
Echinococcus multilocularis	geminin	0.0186	0.2123	0.2077
Schistosoma mansoni	importin beta-1	0.0032	0.0235	0.0176
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.009	0.4987
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0161	0.8917

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 100 uM	Cytotoxicity against human A549 cells after 48 hrs by MTT assay	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: CHEMBL3133236

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 1850353