TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 262.301 | Formula: C15H18O4
H donors: 2 H acceptors: 3 LogP: 0.64 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: O=C1C2C[C@@H](O[C@@H]2[C@H](c2c1cccc2)O)C(O)(C)C
InChi: 1S/C15H18O4/c1-15(2,18)11-7-10-12(16)8-5-3-4-6-9(8)13(17)14(10)19-11/h3-6,10-11,13-14,17-18H,7H2,1-2H3/t10?,11-,13+,14+/m0/s1
InChiKey: BVAYYWKYGJBBHG-PJLFXZSHSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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	0.0048	0.3702	0.3702
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.6498	0.6498
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0037	0.201	0.1204
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.007	0.7215	0.6934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0048	0.3702	0.3702
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0058	0.526	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0048	0.3702	0.3702
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0088	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0048	0.3713	0.3713
Loa Loa (eye worm)	FKBP5 protein	0.0058	0.526	0.4781
Trichomonas vaginalis	PIKK family atypical protein kinase	0.007	0.7204	0.7204
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0088	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0048	0.3713	0.3713
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0048	0.3713	0.3713
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.005	0.4031	0.3429
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.005	0.4031	0.3429
Trichomonas vaginalis	fk506-binding protein, putative	0.0058	0.526	0.526
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0075	0.8002	0.8002
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0088	1	1
Leishmania major	peptidylprolyl isomerase-like protein	0.0058	0.526	0.4781
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.4418	0.4418
Trichomonas vaginalis	immunophilin, putative	0.0058	0.526	0.526
Schistosoma mansoni	immunophilin	0.0058	0.526	0.4781
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.4499	0.4499
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0066	0.6498	0.5
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0058	0.526	0.5
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0088	1	1
Schistosoma mansoni	immunophilin	0.005	0.4031	0.3429
Schistosoma mansoni	immunophilin	0.0058	0.526	0.4781
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0058	0.526	0.4781
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.4499	0.4499
Loa Loa (eye worm)	phosphatidylinositol 3	0.0088	1	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.007	0.7215	0.6934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0916	0.0916
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0058	0.526	0.4781
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.6498	0.6498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0916	0.0916
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.4418	0.4418
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0916	0.0916
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0058	0.526	0.4781
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0058	0.526	0.4781
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0088	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.6498	0.6498
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0088	1	1
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0058	0.526	0.4781
Leishmania major	fk506-binding protein 1-like protein	0.0058	0.526	0.4781
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0048	0.3713	0.3713
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0058	0.526	0.4781
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0088	1	1
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0058	0.526	0.4781
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0088	1	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0088	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.007	0.7204	0.7204
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0058	0.526	0.4781
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0058	0.526	0.4781
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0058	0.526	0.4781
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0057	0.5205	0.5205
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0088	1	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0088	1	1
Echinococcus multilocularis	fk506 binding protein	0.0058	0.526	0.4781
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0058	0.526	0.526
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0088	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0059	0.5501	0.5501
Trichomonas vaginalis	PIKK family atypical protein kinase	0.007	0.7204	0.7204
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.6498	0.6498
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0088	1	1
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0058	0.526	0.4781
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0916	0.0916
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0058	0.526	0.5
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0042	0.2796	0.207
Trichomonas vaginalis	PIKK family atypical protein kinase	0.007	0.7204	0.7204
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0058	0.526	0.4781
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.4499	0.4499
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.6498	0.6498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.007	0.7204	0.7204
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0058	0.526	0.526
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.007	0.7215	0.6934
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0058	0.526	0.4781
Giardia lamblia	GTOR	0.0088	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0916	0.0916
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.6498	0.6498
Loa Loa (eye worm)	hypothetical protein	0.005	0.4031	0.3429
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0088	1	1
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0058	0.526	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.6498	0.6498

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: 478823

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 423915