TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 288.726 | Formula: C16H13ClO3
H donors: 0 H acceptors: 2 LogP: 3.41 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: ClCc1ccc(cc1)OC(=O)c1ccccc1C(=O)C
InChi: 1S/C16H13ClO3/c1-11(18)14-4-2-3-5-15(14)16(19)20-13-8-6-12(10-17)7-9-13/h2-9H,10H2,1H3
InChiKey: FPLYXMIGZSJMCS-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
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	0.0252	0.1866	0.731
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0252	0.1866	1
Echinococcus multilocularis	methylthioadenosine phosphorylase	0.0252	0.1866	0.1866
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0116	0.0716	0.2803
Echinococcus granulosus	purine nucleoside phosphorylase	0.1218	1	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0116	0.0716	0.0716
Loa Loa (eye worm)	glutathione reductase	0.0334	0.2552	0.3241
Echinococcus granulosus	purine nucleoside phosphorylase	0.1218	1	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0116	0.0716	0.2803
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0116	0.0716	1
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0252	0.1866	0.1866
Leishmania major	trypanothione reductase	0.0334	0.2552	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.1218	1	1
Echinococcus multilocularis	uridine phosphorylase 1	0.0252	0.1866	0.1866
Echinococcus granulosus	thioredoxin glutathione reductase	0.0334	0.2552	0.2552
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0116	0.0716	0.0716
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0252	0.1866	1
Plasmodium vivax	thioredoxin reductase, putative	0.0334	0.2552	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0116	0.0716	0.2803
Chlamydia trachomatis	AMP nucleosidase	0.0252	0.1866	1
Loa Loa (eye worm)	hypothetical protein	0.0966	0.7876	1
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0116	0.0716	0.0716
Mycobacterium ulcerans	purine nucleoside phosphorylase	0.1218	1	1
Toxoplasma gondii	phosphorylase family protein	0.0252	0.1866	0.731
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0116	0.0716	0.2803
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0116	0.0716	0.2803
Treponema pallidum	pfs protein (pfs)	0.0252	0.1866	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0116	0.0716	0.2803
Echinococcus granulosus	uridine phosphorylase 1	0.0252	0.1866	0.1866
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0116	0.0716	0.2803
Mycobacterium tuberculosis	Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase	0.0252	0.1866	0.1866
Mycobacterium ulcerans	5'-methylthioadenosine phosphorylase	0.0252	0.1866	0.1866
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0116	0.0716	0.0716
Plasmodium falciparum	thioredoxin reductase	0.0334	0.2552	1
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0252	0.1866	0.731
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0252	0.1866	1
Brugia malayi	glutathione reductase	0.0334	0.2552	0.2552
Toxoplasma gondii	NADPH-glutathione reductase	0.0116	0.0716	0.2803
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0116	0.0716	0.2803
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0252	0.1866	0.1866
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0116	0.0716	0.3835
Plasmodium falciparum	glutathione reductase	0.0334	0.2552	1
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0116	0.0716	0.2803
Plasmodium falciparum	purine nucleoside phosphorylase	0.0252	0.1866	0.731
Echinococcus granulosus	methylthioadenosine phosphorylase	0.0252	0.1866	0.1866
Giardia lamblia	5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase	0.0252	0.1866	0.1866
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0116	0.0716	0.0716
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0252	0.1866	0.1866
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0966	0.7876	0.7876
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0116	0.0716	0.2803
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0116	0.0716	0.2803
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0252	0.1866	0.1866
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0116	0.0716	0.2803
Echinococcus multilocularis	purine nucleoside phosphorylase	0.1218	1	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.1218	1	1
Brugia malayi	MTAP	0.0252	0.1866	0.1866
Mycobacterium leprae	probable uridine phosphorylase	0.0252	0.1866	0.1866
Echinococcus multilocularis	purine nucleoside phosphorylase	0.1218	1	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0116	0.0716	0.2803
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0966	0.7876	0.7876
Plasmodium vivax	glutathione reductase, putative	0.0334	0.2552	1
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0252	0.1866	0.731
Entamoeba histolytica	MTA/SAH nucleosidase, putative	0.0252	0.1866	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0334	0.2552	0.2552
Trichomonas vaginalis	conserved hypothetical protein	0.0252	0.1866	0.1866
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0252	0.1866	1
Giardia lamblia	Purine nucleoside phosphorylase lateral transfer candidate	0.1218	1	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0334	0.2552	1
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0116	0.0716	0.0716
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0116	0.0716	0.2803
Treponema pallidum	uridine phosphorylase (udp)	0.0252	0.1866	1
Loa Loa (eye worm)	uridine phosphorylase	0.0252	0.1866	0.2369
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0252	0.1866	0.1866
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0252	0.1866	0.1866
Brugia malayi	Thioredoxin reductase	0.0334	0.2552	0.2552
Echinococcus granulosus	inosine guanosine and xanthosine phosphorylase	0.0966	0.7876	0.7876
Mycobacterium tuberculosis	Hypothetical protein	0.0252	0.1866	0.1866
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	0.1218	1	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0116	0.0716	0.0716
Leishmania major	nucleoside phosphorylase-like protein	0.0252	0.1866	0.731
Echinococcus multilocularis	purine nucleoside phosphorylase	0.1218	1	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0116	0.0716	0.0716
Schistosoma mansoni	uridine phosphorylase	0.0252	0.1866	0.1866
Trichomonas vaginalis	conserved hypothetical protein	0.0252	0.1866	0.1866
Echinococcus multilocularis	purine nucleoside phosphorylase	0.1218	1	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0116	0.0716	0.0716
Echinococcus granulosus	purine nucleoside phosphorylase	0.1218	1	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0116	0.0716	0.2803
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0085	0.0457	0.0457
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0116	0.0716	0.2803
Echinococcus granulosus	purine nucleoside phosphorylase	0.1218	1	1
Toxoplasma gondii	Purine nucleoside phosphorylase	0.0252	0.1866	0.731
Trichomonas vaginalis	glutathione reductase, putative	0.0116	0.0716	0.0716
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0252	0.1866	0.1866
Plasmodium falciparum	glutathione reductase	0.0116	0.0716	0.2803
Echinococcus multilocularis	purine nucleoside phosphorylase	0.1218	1	1
Plasmodium vivax	purine nucleoside phosphorylase, putative	0.0252	0.1866	0.731
Treponema pallidum	NADH oxidase	0.0116	0.0716	0.3835
Trichomonas vaginalis	mercuric reductase, putative	0.0116	0.0716	0.0716
Plasmodium falciparum	thioredoxin reductase	0.0116	0.0716	0.2803
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0252	0.1866	0.731
Giardia lamblia	5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase	0.0252	0.1866	0.1866
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0334	0.2552	0.2552
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0252	0.1866	0.1866
Echinococcus granulosus	purine nucleoside phosphorylase	0.1218	1	1
Mycobacterium leprae	Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP)	0.1218	1	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0116	0.0716	0.0716
Schistosoma mansoni	purine nucleoside phosphorylase	0.1218	1	1
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0116	0.0716	0.0716
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0085	0.0457	0.0457
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0252	0.1866	0.1866
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0116	0.0716	0.2803
Schistosoma mansoni	purine nucleoside phosphorylase	0.1218	1	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0116	0.0716	0.2803
Mycobacterium ulcerans	bifunctional Mta/Sah nucleosidase Mtn	0.0252	0.1866	0.1866
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0116	0.0716	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0252	0.1866	0.1866
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0252	0.1866	0.731
Echinococcus multilocularis	purine nucleoside phosphorylase	0.1218	1	1
Brugia malayi	uridine phosphorylase family protein	0.0252	0.1866	0.1866
Trypanosoma cruzi	trypanothione reductase, putative	0.0116	0.0716	0.2803
Giardia lamblia	UPL-1	0.0252	0.1866	0.1866
Loa Loa (eye worm)	thioredoxin reductase	0.0334	0.2552	0.3241
Toxoplasma gondii	thioredoxin reductase	0.0334	0.2552	1
Toxoplasma gondii	phosphorylase family protein	0.0252	0.1866	0.731
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0116	0.0716	0.2803
Echinococcus granulosus	purine nucleoside phosphorylase	0.1218	1	1
Trypanosoma brucei	uridine phosphorylase	0.0252	0.1866	0.731
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0252	0.1866	0.1866
Leishmania major	methylthioadenosine phosphorylase, putative	0.0252	0.1866	0.731
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0116	0.0716	0.0716
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0116	0.0716	0.0716
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0252	0.1866	0.731
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0116	0.0716	0.2803
Treponema pallidum	purine nucleoside phosphorylase (deoD)	0.0252	0.1866	1
Loa Loa (eye worm)	S-methyl-5'-thioadenosine phosphorylase MTAP	0.0252	0.1866	0.2369
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0252	0.1866	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0116	0.0716	0.2803
Schistosoma mansoni	uridine phosphorylase	0.0252	0.1866	0.1866
Trypanosoma brucei	trypanothione reductase	0.0334	0.2552	1
Mycobacterium tuberculosis	Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP)	0.1218	1	1
Entamoeba histolytica	hypothetical protein	0.0252	0.1866	1
Trichomonas vaginalis	purine nucleoside phosphorylase I, putative	0.1218	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	0	Induction of PARP cleavage in human HT29 cells after 8 hrs	ChEMBL.	17441704
Activity (functional)	0	Inhibition of serum-induced expression of cyclin D in human SW480 cells after 5 hrs	ChEMBL.	17441704
EC50 (functional)	= 40.1 uM	Apoptosis induction in human HT29 cells after 24 hrs	ChEMBL.	17441704
EC50 (functional)	= 40.1 uM	Apoptosis induction in human HT29 cells after 24 hrs	ChEMBL.	17441704

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 423141