TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 370.354 | Formula: C23H14O5
H donors: 0 H acceptors: 2 LogP: 4.45 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc2c1c(=O)c(co2)/C=C/1\Oc2c(C1=O)cc1c(c2)cccc1
InChi: 1S/C23H14O5/c1-26-17-7-4-8-18-21(17)22(24)15(12-27-18)11-20-23(25)16-9-13-5-2-3-6-14(13)10-19(16)28-20/h2-12H,1H3/b20-11-
InChiKey: KOILOTVUBKIXDL-JAIQZWGSSA-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	PIKK family atypical protein kinase	0.0023	0.0217	0.0651
Trichomonas vaginalis	CAMK family protein kinase	0.0067	0.0927	0.2775
Onchocerca volvulus		0.022	0.3341	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0014	0.0082	0.0246
Schistosoma mansoni	serine/threonine protein kinase	0.0067	0.0927	0.0852
Trichomonas vaginalis	CAMK family protein kinase	0.0067	0.0927	0.2775
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0023	0.0217	0.0649
Trichomonas vaginalis	CAMK family protein kinase	0.0067	0.0927	0.2775
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0042	0.0521	0.0442
Schistosoma mansoni	serine/threonine protein kinase	0.0351	0.5419	0.5381
Schistosoma mansoni	microtubule-associated protein tau	0.0641	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0521	0.156
Trichomonas vaginalis	set domain proteins, putative	0.022	0.3341	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0038	0.0114
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0033	0.0387	0.3601
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0028	0.0299	0.0219
Trichomonas vaginalis	CAMK family protein kinase	0.0067	0.0927	0.2775
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0386	0.1155
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0042	0.0521	0.0442
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0023	0.0217	0.0651
Trypanosoma cruzi	SNF1-related protein kinases, putative	0.0067	0.0927	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0352	0.1053
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0028	0.0299	0.0219
Trichomonas vaginalis	CAMK family protein kinase	0.0067	0.0927	0.2775
Loa Loa (eye worm)	CAMK/CAMKL/BRSK protein kinase	0.0067	0.0927	0.1711
Echinococcus multilocularis	5' AMP activated protein kinase catalytic	0.0351	0.5419	0.5381
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0028	0.0299	0.0219
Trypanosoma cruzi	5'-AMP-activated protein kinase catalytic subunit alpha, putative	0.0067	0.0927	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0028	0.0299	0.0219
Echinococcus granulosus	5' AMP activated protein kinase catalytic	0.0351	0.5419	0.5381
Trichomonas vaginalis	CAMK family protein kinase	0.0067	0.0927	0.2775
Trichomonas vaginalis	CAMK family protein kinase	0.0067	0.0927	0.2775
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0042	0.0521	0.5194
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0255	0.0764
Trichomonas vaginalis	CAMK family protein kinase	0.0067	0.0927	0.2775
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0193	0.2919	0.5386
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0028	0.0299	0.3229
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0023	0.0217	0.0651
Trichomonas vaginalis	CAMK family protein kinase	0.0067	0.0927	0.2775
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0352	0.1053
Leishmania major	protein kinase, putative,SNF1-related protein kinases, putative	0.0067	0.0927	1
Giardia lamblia	Kinase, CAMK CAMKL	0.0067	0.0927	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0299	0.0553
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0386	0.1155
Schistosoma mansoni	serine/threonine protein kinase	0.0067	0.0927	0.0852
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0352	0.1053
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0023	0.0217	0.0649
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0352	0.1053
Trichomonas vaginalis	CAMK family protein kinase	0.0067	0.0927	0.2775
Brugia malayi	hypothetical protein	0.0067	0.0913	0.1556
Trypanosoma cruzi	target of rapamycin kinase 3	0.0033	0.0387	0.3601
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0042	0.0521	0.5194
Loa Loa (eye worm)	CAMK/CAMKL/AMPK protein kinase	0.0351	0.5419	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0251	0.0753
Trichomonas vaginalis	CAMK family protein kinase	0.0067	0.0927	0.2775
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0255	0.0764
Schistosoma mansoni	serine/threonine protein kinase	0.0067	0.0927	0.0852
Trichomonas vaginalis	CAMK family protein kinase	0.0067	0.0927	0.2775
Schistosoma mansoni	serine/threonine protein kinase	0.0067	0.0927	0.0852
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0304	0.0909
Trichomonas vaginalis	CAMK family protein kinase	0.0067	0.0927	0.2775
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0042	0.0521	0.5194
Leishmania major	serine/threonine protein kinase, putative,protein kinase, putative	0.0067	0.0927	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0289	0.0866
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0521	0.156
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0042	0.0521	0.0442
Loa Loa (eye worm)	phosphatidylinositol 3	0.0042	0.0521	0.0962
Brugia malayi	EST embl\|AI107989\|AI107989 comes from the 3' UTR, putative	0.0351	0.5419	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0028	0.0299	0.0219
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0014	0.0082	0.0246
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.002	0.0173	0.1075
Echinococcus multilocularis	microtubule associated protein 2	0.0641	1	1
Plasmodium falciparum	serine/threonine protein kinase KIN	0.0067	0.0927	0.5
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0042	0.0521	0.5194
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0067	0.0927	1
Trichomonas vaginalis	CAMK family protein kinase	0.0067	0.0927	0.2775
Echinococcus granulosus	serine:threonine kinase SAD 1	0.0067	0.0927	0.0852
Plasmodium vivax	serine/threonine protein kinase KIN, putative	0.0067	0.0927	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0352	0.1053
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0425	0.1271
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0028	0.0299	0.0219
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0042	0.0521	0.0822
Trypanosoma brucei	SNF1-related protein kinases, putative	0.0067	0.0927	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0042	0.0521	0.5194
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0014	0.0082	0.0246
Giardia lamblia	Kinase, CAMK CAMKL	0.0067	0.0927	1
Brugia malayi	putative serine/threonine kinase SADA gamma	0.0067	0.0927	0.1583
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0023	0.0217	0.0649
Trichomonas vaginalis	CAMK family protein kinase	0.0067	0.0927	0.2775
Brugia malayi	Pre-SET motif family protein	0.0193	0.2919	0.5315
Trypanosoma brucei	5'-AMP-activated protein kinase catalytic subunit alpha, putative	0.0067	0.0927	1
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0033	0.0387	0.3601
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0386	0.1155
Toxoplasma gondii	histone kinase SNF1, putative	0.0067	0.0927	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0521	0.156
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0386	0.1155
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0255	0.0764
Loa Loa (eye worm)	phosphatidylinositol 3	0.0014	0.0082	0.0152
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0017	0.0135	0.0625
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0031	0.0352	0.3796
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0014	0.0082	0.0246
Trichomonas vaginalis	CAMK family protein kinase	0.0067	0.0927	0.2775
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0913	0.1685
Brugia malayi	Pre-SET motif family protein	0.0028	0.0299	0.0407
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0028	0.0299	0.0219
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0352	0.1053
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0023	0.0217	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0913	0.1685
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0042	0.0521	0.5194
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0352	0.1053
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0386	0.1155
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0014	0.0082	0.0246
Trichomonas vaginalis	CAMK family protein kinase	0.0067	0.0927	0.2775
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0251	0.0753
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0927	0.1711
Echinococcus multilocularis	serine:threonine kinase SAD 1	0.0067	0.0927	0.0852
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0027	0.0283	0.0203

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 17 %	Induction of apoptosis in human K562 cells at 50 uM after 48 hrs	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: CHEMBL3134435

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 1851016