TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 374.386 | Formula: C23H18O5
H donors: 2 H acceptors: 3 LogP: 5.06 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)COc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccccc1
InChi: 1S/C23H18O5/c1-14-7-9-15(10-8-14)13-27-23-21(26)20-18(25)11-17(24)12-19(20)28-22(23)16-5-3-2-4-6-16/h2-12,24-25H,13H2,1H3
InChiKey: PYQHMCWQQCDAHX-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
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0026	0.0475	0.0617
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0798	0.0536
Echinococcus granulosus	tar DNA binding protein	0.0064	0.164	0.3484
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0143	0.4063	0.5
Loa Loa (eye worm)	glutamate receptor	0.0021	0.0327	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0798	0.0536
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.164	1
Brugia malayi	beta-lactamase	0.0036	0.0798	0.186
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0231	0.6774	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1045	0.637
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0798	0.0536
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0021	0.0327	0.0762
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0798	0.4865
Loa Loa (eye worm)	RNA binding protein	0.0064	0.164	0.1402
Brugia malayi	RNA binding protein	0.0064	0.164	0.3823
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0798	0.1413
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.164	0.1402
Echinococcus multilocularis	muscleblind protein 1	0.015	0.429	1
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0143	0.4063	0.5
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0024	0.0415	0.2527
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0475	0.0204
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0798	0.0536
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0798	1
Onchocerca volvulus		0.0036	0.0798	1
Echinococcus granulosus	prolyl 4 hydroxylase subunit alpha 1	0.0019	0.0277	0.013
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1045	0.637
Trichomonas vaginalis	hypothetical protein	0.0143	0.4063	1
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.164	0.3484
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0143	0.4063	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.1045	0.202
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0798	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.1045	0.2435
Schistosoma mansoni	metabotropic glutamate receptor	0.0017	0.0223	0.1363
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0798	0.0536
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0798	0.1413
Loa Loa (eye worm)	hypothetical protein	0.015	0.429	0.4128
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0798	0.0536
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.1045	0.079
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.1045	0.202
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0026	0.0475	0.0617
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0019	0.0267	0.0623
Leishmania major	hypothetical protein, conserved	0.0036	0.0798	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1045	0.637
Echinococcus multilocularis	muscleblind protein	0.015	0.429	1
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.164	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.1045	0.202
Onchocerca volvulus		0.0036	0.0798	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0798	1
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0143	0.4063	1
Brugia malayi	Muscleblind-like protein	0.015	0.429	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0798	0.186
Loa Loa (eye worm)	hypothetical protein	0.015	0.429	0.4128
Brugia malayi	prolyl 4-hydroxylase	0.0019	0.0277	0.0645
Toxoplasma gondii	ABC1 family protein	0.0036	0.0798	0.1377
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0143	0.4063	1
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.0143	0.4063	0.5
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0143	0.4063	0.5464
Brugia malayi	TAR-binding protein	0.0064	0.164	0.3823
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.164	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0798	0.186
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.164	1
Echinococcus granulosus	muscleblind protein	0.015	0.429	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0798	0.4865
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.1045	0.202
Brugia malayi	beta-lactamase family protein	0.0036	0.0798	0.186
Schistosoma mansoni	prolyl 4-hydroxylase alpha subunit 1	0.0019	0.0277	0.1686
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0798	0.0536
Echinococcus multilocularis	prolyl 4 hydroxylase subunit alpha 1	0.0019	0.0277	0.013
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.164	1
Onchocerca volvulus		0.0036	0.0798	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0798	0.0536
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.164	0.3823
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0143	0.4063	1
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.164	0.1402

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

ChEMBL: CHEMBL1270349

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 1247883