TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 528.806 | Formula: C34H56O4
H donors: 0 H acceptors: 2 LogP: 10.26 Rotable bonds: 4
Rule of 5 violations (Lipinski): 2
SMILES: CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@@H]([C@@]2([C@@H]1[C@]1(C)CC[C@@]3([C@]([C@H]1CC2)(C)CC[C@@]1([C@H]3CC(C)(C)CC1)C)C)C)C
InChi: 1S/C34H56O4/c1-21-24(37-22(2)35)19-25(38-23(3)36)28-31(21,7)12-11-26-32(28,8)16-18-34(10)27-20-29(4,5)13-14-30(27,6)15-17-33(26,34)9/h21,24-28H,11-20H2,1-10H3/t21-,24-,25+,26-,27+,28+,30+,31+,32+,33+,34-/m0/s1
InChiKey: LVIBXNKBZPAXGS-FQUOBEMKSA-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
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.083	0.0756	0.2059
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0709	0.0638	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0116	0.158
Trichomonas vaginalis	conserved hypothetical protein	0.0497	0.0431	0.5158
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0811	0.0737	0.18
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0791	0.0717	0.9692
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0162	0.0105	0.0145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0465	0.04	0.467
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0212	0.0154	0.0138
Trichomonas vaginalis	conserved hypothetical protein	0.0285	0.0225	0.1895
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0791	0.0717	0.9692
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0162	0.0105	0.0145
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0458	0.0393	0.4556
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0791	0.0717	0.9691
Loa Loa (eye worm)	hypothetical protein	0.0334	0.0273	0.3707
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0274	0.0214	0.2829
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0162	0.0105	0.0685
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0542	0.0475	0.586
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	1.0324	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0791	0.0717	0.9691
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0782	0.0709	0.9554
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0799	0.0726	0.9828
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0791	0.0717	0.9692
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0274	0.0214	0.172
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.048	0.0415	0.4905
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0274	0.0214	0.172
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0811	0.0737	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0274	0.0214	0.172
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0162	0.0105	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0799	0.0726	0.9828
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0792	0.0719	0.9715
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0334	0.0273	0.0217
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0447	0.0383	0.5065
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0212	0.0154	0.1377
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0799	0.0726	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0461	0.0397	0.4856
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0447	0.0383	0.4396
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.018	0.0123	0.0274
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0369	0.0306	0.025
Giardia lamblia	GTOR	0.0811	0.0737	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0465	0.04	0.467
Loa Loa (eye worm)	phosphatidylinositol 3	0.0162	0.0105	0.1429
Loa Loa (eye worm)	phosphatidylinositol 3	0.0162	0.0105	0.1429
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0461	0.0397	0.4615
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0274	0.0214	0.172
Loa Loa (eye worm)	hypothetical protein	0.0369	0.0306	0.4158
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0811	0.0737	0.0683
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0162	0.0105	0.0145
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0461	0.0397	0.4615
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0799	0.0726	0.9828
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0447	0.0383	0.0327
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0212	0.0154	0.0138
Schistosoma mansoni	hypothetical protein	0.0334	0.0273	0.3087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0802	0.0728	0.9863
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0811	0.0737	1
Onchocerca volvulus		0.0162	0.0105	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0517	0.045	0.5467
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0171	0.0114	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0497	0.0431	0.585
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0447	0.0383	0.4659
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0802	0.0728	0.9863
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0799	0.0726	0.9828
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0212	0.0154	0.0765
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0162	0.0105	0.0685
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.083	0.0756	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0274	0.0214	0.224
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0782	0.0709	0.172
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0467	0.0402	0.4705
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0274	0.0214	0.172
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0793	0.0719	0.9726
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0811	0.0737	1
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0212	0.0154	0.0097
Entamoeba histolytica	hypothetical protein	0.0461	0.0397	0.4615
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0212	0.0154	0.0287
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.083	0.0756	0.2059
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0782	0.0709	0.9554
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0212	0.0154	0.0765
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0811	0.0737	0.9745
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0113	0.0057	0.078
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0212	0.0154	0.1377
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0212	0.0154	0.0765
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0212	0.0154	0.0097
Loa Loa (eye worm)	phosphatidylinositol 3	0.0792	0.0719	0.9755
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0176	0.0119	0.0186
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0811	0.0737	1
Brugia malayi	FAT domain containing protein	0.0334	0.0273	0.3613
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0162	0.0105	0.0048
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0307	0.0246	0.2229
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0782	0.0709	0.9554
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0274	0.0214	0.172
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.083	0.0756	0.0703
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0506	0.044	0.5295
Trypanosoma cruzi	hypothetical protein, conserved	0.3602	0.3455	1
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0212	0.0154	0.0765
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0542	0.0475	0.1234
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0212	0.0154	0.0778
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0799	0.0726	0.9828
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0162	0.0105	0.0048
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0212	0.0154	0.0765
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0799	0.0726	0.9828
Entamoeba histolytica	protein kinase rad3, putative	0.0447	0.0383	0.4396
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0542	0.0475	0.586
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0447	0.0383	0.4396
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0782	0.0709	0.9554
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0334	0.0273	0.0217
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0447	0.0383	0.4396
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0709	0.0638	0.8309
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0811	0.0737	0.0683
Loa Loa (eye worm)	phosphatidylinositol 3	0.0162	0.0105	0.1429
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0212	0.0154	0.2032
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0162	0.0105	0.0048
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0791	0.0717	0.9692
Trichomonas vaginalis	conserved hypothetical protein	0.0334	0.0273	0.2657
Mycobacterium leprae	conserved hypothetical protein	0.0162	0.0105	0.5
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0709	0.0638	0.0584
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0542	0.0475	0.6288
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0212	0.0154	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0458	0.0393	0.4556
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0167	0.011	0.1454
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0224	0.0166	0.0955
Leishmania major	hypothetical protein, conserved	0.3764	0.3613	1
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0212	0.0154	0.0097
Loa Loa (eye worm)	phosphatidylinositol 3	0.0162	0.0105	0.1429
Loa Loa (eye worm)	phosphatidylinositol 3	0.0647	0.0578	0.7839
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0476	0.0411	0.4842
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0465	0.04	0.467
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0782	0.0709	0.9554
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.083	0.0756	1
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0792	0.0719	0.1749
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0162	0.0105	0.0145
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0162	0.0105	0.0685
Loa Loa (eye worm)	hypothetical protein	0.0447	0.0383	0.5197
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0162	0.0105	0.1429
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0793	0.0719	0.9726
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0162	0.0105	0.1393
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0811	0.0737	0.18
Entamoeba histolytica	hypothetical protein	0.048	0.0415	0.4905
Loa Loa (eye worm)	hypothetical protein	0.0299	0.0239	0.3241
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0285	0.0225	0.1895
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0385	0.0323	0.3441
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0212	0.0154	0.0778
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0802	0.0728	0.9863
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0461	0.0397	0.5247
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0447	0.0383	0.0962
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0212	0.0154	0.0287
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0802	0.0728	0.1775
Echinococcus granulosus	serine protein kinase ATM	0.0461	0.0397	0.0341
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0811	0.0737	0.2003
Brugia malayi	Variant SH3 domain containing protein	0.0113	0.0057	0.076
Trypanosoma cruzi	target of rapamycin kinase 3	0.0802	0.0728	0.1977
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0802	0.0728	0.9863
Toxoplasma gondii	FATC domain-containing protein	0.0461	0.0397	0.4695
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0542	0.0475	0.586
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.083	0.0756	0.0703
Echinococcus multilocularis	serine protein kinase ATM	0.0461	0.0397	0.0341
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0369	0.0306	0.025
Echinococcus multilocularis		0.0162	0.0105	0.0048
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0162	0.0105	0.1393
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0542	0.0475	0.1234
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0162	0.0105	0.1393
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0274	0.0214	0.0465
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0176	0.0119	0.0039
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0299	0.0239	0.0538
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0811	0.0737	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0811	0.0737	1
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0447	0.0383	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0105	0.1429
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.038	0.0317	0.3359
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0497	0.0431	0.5248
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0369	0.0306	0.4052
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0811	0.0737	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0811	0.0737	0.2003
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0542	0.0475	0.586
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0802	0.0728	0.9863
Schistosoma mansoni	hypothetical protein	0.0162	0.0105	0.0685
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0799	0.0726	0.9828
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0792	0.0719	0.9715
Onchocerca volvulus		0.0162	0.0105	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0802	0.0728	0.9863
Echinococcus multilocularis	Zinc finger, PHD finger	0.0212	0.0154	0.0097
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0212	0.0154	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0111	0.0056	0.076
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0162	0.0105	0.0048
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0811	0.0737	0.9725
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0212	0.0154	0.2085
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0162	0.0105	0.0048
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0811	0.0737	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0461	0.0397	0.1002
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0791	0.0717	0.9691
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0212	0.0154	0.0765

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: CHEMBL1641911

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 1467394