TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 320.337 | Formula: C17H20O6
H donors: 1 H acceptors: 3 LogP: 1.29 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: O=C1O[C@@H]2C34[C@@]1(O)CC([C@@H]3C[C@@H]1C34[C@@](O2)(CCC3)C(=O)O1)(C)C
InChi: 1S/C17H20O6/c1-13(2)7-15(20)10(18)22-12-17(15)8(13)6-9-14(17)4-3-5-16(14,23-12)11(19)21-9/h8-9,12,20H,3-7H2,1-2H3/t8-,9+,12-,14?,15+,16+,17?/m0/s1
InChiKey: RMDHWCAIYRBVNJ-DXDKDSQHSA-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	protein farnesyltransferase alpha subunit, putative	0.0093	0.0245	0.0864
Trypanosoma brucei	protein farnesyltransferase beta subunit	0.019	0.0665	0.199
Echinococcus multilocularis	geranylgeranyl transferase type 2 subunit alpha	0.0093	0.0245	0.0245
Echinococcus multilocularis	geranylgeranyl transferase type I beta subunit	0.0196	0.0695	0.0695
Trypanosoma cruzi	protein farnesyltransferase, putative	0.019	0.0665	0.199
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0135	0.0093
Mycobacterium tuberculosis	Possible penicillin-binding lipoprotein	0.1293	0.5482	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0135	0.0093
Onchocerca volvulus		0.0093	0.0245	0.5
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0678	0.2798	0.2767
Echinococcus granulosus	carbonic anhydrase II	0.0678	0.2798	0.2798
Echinococcus multilocularis	Rab geranylgeranyltransferase, beta subunit	0.0068	0.0135	0.0135
Entamoeba histolytica	geranylgeranyl transferase beta subunit	0.0196	0.0695	0.4927
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0371	0.1459	0.1459
Plasmodium vivax	prenyltransferase alpha subunit, putative	0.036	0.141	1
Chlamydia trachomatis	transglycolase/transpeptidase	0.1311	0.556	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0678	0.2798	1
Trichomonas vaginalis	conserved hypothetical protein	0.015	0.0492	0.2805
Echinococcus granulosus	protein prenyltransferase alpha subunit	0.0093	0.0245	0.0245
Mycobacterium ulcerans	penicillin-binding protein PbpA	0.0876	0.366	0.6348
Leishmania major	protein farnesyltransferase alpha subunit, putative	0.0093	0.0245	0.0413
Schistosoma mansoni	carbonic anhydrase-related	0.0371	0.1459	0.1459
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0371	0.1459	0.1459
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.036	0.141	1
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0267	0.1002	0.6802
Mycobacterium ulcerans	penicillin-binding lipoprotein	0.1293	0.5482	1
Trypanosoma brucei	hypothetical protein, conserved	0.0093	0.0245	0.0413
Trypanosoma brucei	carbonic anhydrase-like protein	0.0678	0.2798	1
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.019	0.0665	0.0665
Echinococcus granulosus	carbonic anhydrase	0.0371	0.1459	0.1459
Giardia lamblia	Prenyltransferase	0.019	0.0665	0.4157
Loa Loa (eye worm)	hypothetical protein	0.036	0.141	0.1373
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0678	0.2798	0.2798
Leishmania major	carbonic anhydrase-like protein	0.0678	0.2798	1
Loa Loa (eye worm)	hypothetical protein	0.0371	0.1459	0.1422
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0093	0.0245	0.0245
Echinococcus multilocularis	protein prenyltransferase alpha subunit	0.0093	0.0245	0.0245
Trichomonas vaginalis	type I geranylgeranyltransferase beta subunit, putative	0.019	0.0665	0.4157
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0371	0.1459	0.1459
Trichomonas vaginalis	geranylgeranyl transferase type beta subunit, putative	0.019	0.0665	0.4157
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0678	0.2798	0.2798
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0047	0.0043	0.0043
Echinococcus granulosus	protein farnesyltransferase alpha subunit	0.036	0.141	0.141
Entamoeba histolytica	Rab geranylgeranyltransferase alpha subunit, putative	0.0093	0.0245	0.1737
Echinococcus granulosus	geranylgeranyl transferase type 2 subunit alpha	0.0093	0.0245	0.0245
Schistosoma mansoni	protein farnesyltransferase alpha subunit	0.036	0.141	0.141
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0093	0.0245	0.0203
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.036	0.141	1
Giardia lamblia	Rab geranylgeranyltransferase	0.0093	0.0245	0.0864
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0093	0.0245	0.0413
Plasmodium falciparum	protein farnesyltransferase subunit alpha	0.036	0.141	0.9631
Brugia malayi	Probable protein farnesyltransferase beta subunit, putative	0.0068	0.0135	0.0135
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.036	0.141	0.1373
Schistosoma mansoni	hypothetical protein	0.2328	1	1
Echinococcus granulosus	protein farnesyltransferase subunit beta	0.019	0.0665	0.0665
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0678	0.2798	0.2798
Plasmodium vivax	farnesyltransferase beta subunit, putative	0.019	0.0665	0.4157
Plasmodium falciparum	geranylgeranyl transferase type-2 subunit alpha, putative	0.0093	0.0245	0.0832
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0093	0.0245	0.0413
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsI	0.1311	0.556	0.5
Echinococcus multilocularis	carbonic anhydrase	0.0371	0.1459	0.1459
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0371	0.1459	0.1422
Echinococcus granulosus	indoleamine 23 dioxygenase 2	0.2328	1	1
Plasmodium vivax	conserved Plasmodium protein, unknown function	0.0121	0.0367	0.1823
Echinococcus multilocularis	protein farnesyltransferase alpha subunit	0.036	0.141	0.141
Loa Loa (eye worm)	indoleamine 2,3-dioxygenase	0.2328	1	1
Mycobacterium leprae	POSSIBLE PENICILLIN-BINDING LIPOPROTEIN	0.1293	0.5482	1
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0678	0.2798	0.2798
Loa Loa (eye worm)	hypothetical protein	0.0371	0.1459	0.1422
Trypanosoma brucei	protein farnesyltransferase alpha subunit, putative	0.0093	0.0245	0.0413
Mycobacterium tuberculosis	Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen	0.015	0.0492	0.0669
Echinococcus multilocularis	carbonic anhydrase	0.0371	0.1459	0.1459
Trypanosoma cruzi	hypothetical protein, conserved	0.0093	0.0245	0.0413
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.019	0.0665	0.4004
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0047	0.0043	0.0043
Toxoplasma gondii	hypothetical protein	0.0267	0.1002	0.6551
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.019	0.0665	0.0625
Leishmania major	farnesyltransferase beta subunit	0.019	0.0665	0.199
Echinococcus multilocularis	carbonic anhydrase II	0.0678	0.2798	0.2798
Loa Loa (eye worm)	carbonic anhydrase 3	0.0678	0.2798	0.2767
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.036	0.141	1
Schistosoma mansoni	carbonic anhydrase-related	0.0371	0.1459	0.1459
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0093	0.0245	0.0413
Schistosoma mansoni	hypothetical protein	0.0371	0.1459	0.1459
Echinococcus multilocularis	indoleamine 2,3 dioxygenase 2	0.2328	1	1
Echinococcus granulosus	carbonic anhydrase	0.0371	0.1459	0.1459
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.019	0.0665	0.4157
Schistosoma mansoni	carbonic anhydrase-related	0.0371	0.1459	0.1459
Schistosoma mansoni	protein farnesyltransferase subunit beta	0.019	0.0665	0.0665
Treponema pallidum	penicillin-binding protein (pbp-3)	0.0585	0.2393	0.375
Mycobacterium leprae	Probable penicillin-binding protein PbpA	0.0876	0.366	0.6348
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0371	0.1459	0.1459
Echinococcus granulosus	geranylgeranyl transferase type I beta subunit	0.0196	0.0695	0.0695
Schistosoma mansoni	geranylgeranyl transferase type II beta subunit	0.0068	0.0135	0.0135
Schistosoma mansoni	hypothetical protein	0.2328	1	1
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.0196	0.0695	0.4391
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.0196	0.0695	0.0695
Trypanosoma cruzi	Protein prenyltransferase alpha subunit repeat, putative	0.0093	0.0245	0.0413
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0765	0.3179	0.3179
Entamoeba histolytica	protein farnesyltransferase alpha subunit, putative	0.036	0.141	1
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.036	0.141	0.141
Echinococcus multilocularis	protein farnesyltransferase subunit beta	0.019	0.0665	0.0665
Schistosoma mansoni	carbonic anhydrase	0.0371	0.1459	0.1459
Toxoplasma gondii	hypothetical protein	0.0371	0.1459	1
Trypanosoma cruzi	protein farnesyltransferase, putative	0.019	0.0665	0.199
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0093	0.0245	0.0245
Trypanosoma cruzi	hypothetical protein, conserved	0.0093	0.0245	0.0413
Plasmodium falciparum	carbonic anhydrase	0.0371	0.1459	1
Mycobacterium ulcerans	penicillin-binding membrane protein PbpB	0.0585	0.2393	0.3809
Entamoeba histolytica	protein farnesyltransferase beta subunit, putative	0.019	0.0665	0.4716
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.019	0.0665	0.4157
Entamoeba histolytica	Rab geranylgeranyltransferase beta subunit, putative	0.0068	0.0135	0.0956
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.0196	0.0695	0.0655
Plasmodium falciparum	protein farnesyltransferase subunit beta	0.019	0.0665	0.4004
Loa Loa (eye worm)	hypothetical protein	0.0371	0.1459	0.1422
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0371	0.1459	0.1459
Mycobacterium tuberculosis	Probable penicillin-binding protein PbpA	0.0876	0.366	0.6592
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.019	0.0665	0.4157
Toxoplasma gondii	hypothetical protein	0.0093	0.0245	0.0832
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.0196	0.0695	0.0695
Plasmodium vivax	protein prenyltransferase alpha subunit, putative	0.0093	0.0245	0.0864
Echinococcus multilocularis	carbonic anhydrase	0.0371	0.1459	0.1459
Treponema pallidum	penicillin-binding protein (pbp-1)	0.1311	0.556	1
Giardia lamblia	Rab geranylgeranyltransferase	0.036	0.141	1
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.019	0.0665	0.4157
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0678	0.2798	1
Echinococcus granulosus	carbonic anhydrase	0.0371	0.1459	0.1459
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.0196	0.0695	0.0695
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0093	0.0245	0.0413

Activities

Activity type	Activity value	Assay description	Source	Reference
Binding affinity (binding)	= 5.04 uM	Compound was evaluated for anti-platelet activating factor potency	ChEMBL.	9871752
Binding affinity (binding)	= 9.2 uM	Binding affinity against platelet activating factor	ChEMBL.	9871752

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: CHEMBL2368388

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 1742712