TDR Targets

Basic information

Technical information

TDR Targets ID: 1135935
Name: [hydroxy-[(1E,3E,7E)-4,8,12-trimethyltrideca- 1,3,7,11-tetraenyl]phosphoryl]methylphosphoni c acid
MW: 376.365 | Formula: C17H30O5P2
H donors: 3 H acceptors: 5 LogP: 2.86 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: C/C(=C\C=C\P(=O)(CP(=O)(O)O)O)/CC/C=C(/CCC=C(C)C)\C
InChi: 1S/C17H30O5P2/c1-15(2)8-5-9-16(3)10-6-11-17(4)12-7-13-23(18,19)14-24(20,21)22/h7-8,10,12-13H,5-6,9,11,14H2,1-4H3,(H,18,19)(H2,20,21,22)/b13-7+,16-10+,17-12+
InChiKey: IZSUFXYWDUWORE-LFDLETANSA-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

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Squalene synthetase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	squalene synthase similar to S. cerevisiae ERG9 (YHR190W) involved in ergosterol biosynthesis	Get druggable targets OG5_129470	All targets in OG5_129470
Leishmania major	squalene synthase, putative	Get druggable targets OG5_129470	All targets in OG5_129470
Trypanosoma congolense	squalene synthase, putative	Get druggable targets OG5_129470	All targets in OG5_129470
Trypanosoma congolense	squalene synthase, putative	Get druggable targets OG5_129470	All targets in OG5_129470
Candida albicans	squalene synthase similar to S. cerevisiae ERG9 (YHR190W) involved in ergosterol biosynthesis	Get druggable targets OG5_129470	All targets in OG5_129470
Trypanosoma cruzi	squalene synthase, putative	Get druggable targets OG5_129470	All targets in OG5_129470
Leishmania braziliensis	squalene synthase, putative	Get druggable targets OG5_129470	All targets in OG5_129470
Leishmania mexicana	farnesyltransferase, putative	Get druggable targets OG5_129470	All targets in OG5_129470
Leishmania infantum	squalene synthase, putative	Get druggable targets OG5_129470	All targets in OG5_129470
Trypanosoma cruzi	squalene synthase, putative	Get druggable targets OG5_129470	All targets in OG5_129470
Trypanosoma brucei gambiense	farnesyltransferase, putative,squalene synthase, putative	Get druggable targets OG5_129470	All targets in OG5_129470
Trypanosoma brucei	squalene synthase, putative	Get druggable targets OG5_129470	All targets in OG5_129470
Leishmania donovani	farnesyltransferase, putative	Get druggable targets OG5_129470	All targets in OG5_129470
Trypanosoma congolense	squalene synthase, putative	Get druggable targets OG5_129470	All targets in OG5_129470

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
Brugia malayi	ImpB/MucB/SamB family protein	0.0121	0.2037	0.2184
Trypanosoma cruzi	DNA polymerase kappa, putative	0.015	0.2634	0.39
Trypanosoma brucei	DNA polymerase kappa, putative	0.015	0.2634	0.3761
Trypanosoma brucei	DNA polymerase kappa, putative	0.0066	0.0903	0.0964
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.0582	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0306	0.0223
Mycobacterium ulcerans	DNA polymerase IV	0.015	0.2634	0.805
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0159	0.2825	0.407
Trypanosoma brucei	DNA polymerase IV, putative	0.015	0.2634	0.3761
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1482	0.1536
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0046	0.0484	0.1509
Leishmania major	squalene synthase, putative	0.0303	0.5799	0.8898
Plasmodium falciparum	histone acetyltransferase GCN5	0.0042	0.0404	0.5739
Trypanosoma cruzi	DNA damage repair protein, putative	0.0038	0.0306	0.0223
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0306	0.0223
Mycobacterium ulcerans	hypothetical protein	0.0177	0.3198	1
Leishmania major	hypothetical protein, conserved	0.0051	0.0582	0.0659
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0176	0.3176	0.4923
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0041	0.038	0.1186
Schistosoma mansoni	transcription factor LCR-F1	0.0075	0.1076	0.1667
Leishmania major	DNA polymerase kappa, putative	0.0128	0.2185	0.3191
Onchocerca volvulus	NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog	0.0094	0.1482	0.1339
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0336	0.6496	1
Echinococcus granulosus	cpg binding protein	0.0165	0.2954	0.921
Brugia malayi	Pip kinase protein 2	0.0176	0.3176	0.3513
Trypanosoma cruzi	DNA polymerase kappa, putative	0.015	0.2634	0.39
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0041	0.038	0.1186
Onchocerca volvulus		0.0156	0.2769	0.2648
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0046	0.0484	0.0567
Echinococcus granulosus	Squalene phytoene synthase	0.0094	0.1482	0.462
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0038	0.0306	0.0251
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0159	0.2825	0.4202
Schistosoma mansoni	hypothetical protein	0.0178	0.3207	0.497
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0047	0.0507	0.0541
Brugia malayi	acetyltransferase, GNAT family protein	0.0157	0.2781	0.3052
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0067	0.0909	0.1408
Onchocerca volvulus	Huntingtin homolog	0.0126	0.2141	0.201
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0075	0.1076	0.3355
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.015	0.2634	0.2436
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0336	0.6496	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0176	0.3178	0.4759
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0051	0.0578	0.1802
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0051	0.0578	0.1802
Onchocerca volvulus		0.0176	0.3176	0.3062
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0046	0.0484	0.0567
Trypanosoma brucei	DNA polymerase IV, putative	0.015	0.2634	0.3761
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0121	0.2037	0.2184
Echinococcus granulosus	histone lysine methyltransferase setb	0.0067	0.0909	0.2833
Schistosoma mansoni	cpg binding protein	0.0156	0.2769	0.4292
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0025	0.004	0.0062
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0041	0.038	0.1186
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0303	0.5797	1
Schistosoma mansoni	hypothetical protein	0.0031	0.0164	0.0255
Trypanosoma brucei	DNA polymerase kappa, putative	0.0091	0.1406	0.1777
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0128	0.2185	0.4098
Trypanosoma brucei	DNA polymerase kappa, putative	0.015	0.2634	0.3761
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0046	0.0484	0.0228
Plasmodium falciparum	DNA repair protein REV1, putative	0.0038	0.0306	0.3385
Brugia malayi	CXXC zinc finger family protein	0.0156	0.2769	0.3038
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0067	0.0909	0.2833
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0609	0.0519
Echinococcus multilocularis	cpg binding protein	0.0165	0.2954	0.921
Plasmodium vivax	ataxin-2 like protein, putative	0.0051	0.0582	0.561
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0058	0.0721	0.0879
Echinococcus granulosus	dna polymerase eta	0.0176	0.3178	0.9909
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0041	0.038	0.059
Trichomonas vaginalis	set domain proteins, putative	0.0505	1	1
Entamoeba histolytica	hypothetical protein	0.0075	0.1076	0.4114
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0609	0.0519
Leishmania major	DNA polymerase kappa, putative	0.0038	0.0306	0.0223
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0153	0.269	0.8388
Echinococcus multilocularis	Squalene phytoene synthase	0.0094	0.1482	0.462
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0336	0.6496	1
Echinococcus granulosus	geminin	0.0178	0.3207	1
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0047	0.0507	0.0325
Brugia malayi	F/Y-rich N-terminus family protein	0.005	0.0565	0.0467
Trypanosoma cruzi	DNA polymerase kappa, putative	0.015	0.2634	0.39
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0334	0.6452	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.0582	1
Echinococcus multilocularis	dna polymerase kappa	0.015	0.2634	0.8213
Trypanosoma brucei	DNA polymerase kappa, putative	0.015	0.2634	0.3761
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0093	0.1447	0.2276
Echinococcus granulosus	tissue type plasminogen activator	0.0031	0.0164	0.0513
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0128	0.2185	0.3191
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0061	0.0789	0.2462
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0121	0.2037	0.3235
Loa Loa (eye worm)	pip kinase 2	0.0176	0.3176	0.3513
Giardia lamblia	DINP protein human, muc B family	0.0128	0.2185	1
Echinococcus multilocularis	dna polymerase eta	0.0176	0.3178	0.9909
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0067	0.0909	0.2833
Trypanosoma cruzi	phytoene synthase, putative	0.0094	0.1482	0.208
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0046	0.0484	0.4291
Entamoeba histolytica	hypothetical protein	0.0075	0.1076	0.4114
Entamoeba histolytica	hypothetical protein	0.0075	0.1076	0.4114
Echinococcus multilocularis	geminin	0.0178	0.3207	1
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0157	0.2781	0.4311
Brugia malayi	hypothetical protein	0.0164	0.292	0.3214
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2141	0.2306
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0156	0.2769	0.3038
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0067	0.0909	0.1408
Trypanosoma brucei	DNA polymerase kappa, putative	0.015	0.2634	0.3761
Loa Loa (eye worm)	acetyltransferase	0.0157	0.2781	0.3052
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0067	0.0909	0.1408
Loa Loa (eye worm)	hypothetical protein	0.0176	0.3178	0.3515
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0047	0.0507	0.0541
Brugia malayi	Pre-SET motif family protein	0.0444	0.8737	1
Echinococcus multilocularis	phosphatidylinositol 5 phosphate 4 kinase type 2	0.0176	0.3176	0.9905
Schistosoma mansoni	hypothetical protein	0.0075	0.1076	0.1667
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0177	0.3198	1
Trypanosoma brucei	squalene synthase, putative	0.0303	0.5799	0.8873
Trypanosoma cruzi	DNA damage repair protein, putative	0.0038	0.0306	0.0223
Leishmania major	mitochondrial DNA polymerase beta	0.0336	0.6496	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0121	0.2037	0.6352
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0176	0.3176	0.4923
Trypanosoma brucei	DNA polymerase IV, putative	0.0143	0.2486	0.3521
Brugia malayi	hypothetical protein	0.0033	0.0208	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0176	0.3176	0.3513
Onchocerca volvulus	Huntingtin homolog	0.0126	0.2141	0.201
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0067	0.0909	0.1321
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0609	0.0519
Brugia malayi	MH2 domain containing protein	0.0133	0.2282	0.247
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0903	0.0861
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0041	0.038	0.1186
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.0582	0.0659
Plasmodium vivax	DNA repair protein REV1, putative	0.0038	0.0306	0.1899
Schistosoma mansoni	hypothetical protein	0.0036	0.0267	0.0414
Schistosoma mansoni	DNA polymerase IV / kappa	0.0038	0.0306	0.0474
Trypanosoma brucei	unspecified product	0.0084	0.1258	0.1538
Trypanosoma cruzi	DNA polymerase eta, putative	0.0093	0.1447	0.2025
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0046	0.0484	0.0228
Toxoplasma gondii	LsmAD domain-containing protein	0.0051	0.0582	0.0741
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0157	0.2781	0.8672
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0267	0.0119
Plasmodium vivax	SET domain protein, putative	0.0067	0.0909	1
Entamoeba histolytica	hypothetical protein	0.0075	0.1076	0.4114
Leishmania major	DNA polymerase eta, putative	0.0093	0.1447	0.2025
Brugia malayi	hypothetical protein	0.0126	0.2141	0.2306
Trypanosoma brucei	PAB1-binding protein , putative	0.0051	0.0582	0.0446
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0121	0.2037	0.6352
Trypanosoma brucei	DNA polymerase kappa, putative	0.0091	0.1406	0.1777
Leishmania major	DNA polymerase eta, putative	0.0176	0.3178	0.4759
Trypanosoma brucei	DNA polymerase kappa, putative	0.0066	0.0903	0.0964
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2141	0.2306
Schistosoma mansoni	cpg binding protein	0.0165	0.2954	0.4578
Brugia malayi	ImpB/MucB/SamB family protein	0.0176	0.3178	0.3515
Trypanosoma brucei	DNA polymerase kappa, putative	0.015	0.2634	0.3761
Trypanosoma cruzi	squalene synthase, putative	0.0303	0.5799	0.8898
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0444	0.8737	1
Echinococcus multilocularis	tissue type plasminogen activator	0.0031	0.0164	0.0513
Schistosoma mansoni	cpg binding protein	0.0165	0.2954	0.4578
Trypanosoma brucei	unspecified product	0.0084	0.1258	0.1538
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0909	0.0868
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.0582	0.0659
Trypanosoma cruzi	DNA polymerase kappa, putative	0.015	0.2634	0.39
Onchocerca volvulus		0.0067	0.0909	0.0756
Onchocerca volvulus		0.0164	0.292	0.2801
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0047	0.0507	0.0541
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0045	0.0454	0.0514
Schistosoma mansoni	DNA polymerase eta	0.0176	0.3178	0.4925
Loa Loa (eye worm)	transcription factor SMAD2	0.0133	0.2282	0.247
Trypanosoma brucei	DNA polymerase kappa, putative	0.015	0.2634	0.3761
Leishmania major	hypothetical protein, conserved	0.0094	0.1482	0.208
Trypanosoma brucei	DNA polymerase kappa, putative	0.0091	0.1406	0.1777
Loa Loa (eye worm)	MH2 domain-containing protein	0.0133	0.2282	0.247
Schistosoma mansoni	hypothetical protein	0.0178	0.3207	0.497
Echinococcus granulosus	dna polymerase kappa	0.015	0.2634	0.8213
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0121	0.2037	0.3157
Trypanosoma brucei	DNA polymerase kappa, putative	0.0128	0.2185	0.3036
Trypanosoma brucei	unspecified product	0.0143	0.2486	0.3521
Trypanosoma brucei	DNA polymerase kappa, putative	0.015	0.2634	0.3761
Brugia malayi	Pre-SET motif family protein	0.0067	0.0909	0.0868
Brugia malayi	hypothetical protein	0.0075	0.1076	0.1063
Trichomonas vaginalis	DNA polymerase eta, putative	0.015	0.2634	0.2436
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0121	0.2037	0.3157
Trypanosoma brucei	DNA polymerase kappa, putative	0.015	0.2634	0.3761
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0075	0.1076	0.3355
Loa Loa (eye worm)	hypothetical protein	0.0164	0.292	0.3214
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0121	0.2037	1
Echinococcus granulosus	phosphatidylinositol 5 phosphate 4 kinase type 2	0.0176	0.3176	0.9905
Brugia malayi	polk-prov protein	0.0066	0.0903	0.0861
Mycobacterium ulcerans	phytoene synthase, CrtB	0.0094	0.1482	0.4066
Schistosoma mansoni	hypothetical protein	0.0094	0.1482	0.2296
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0609	0.0519
Trypanosoma brucei	DNA polymerase eta, putative	0.0176	0.3178	0.4639
Trypanosoma brucei	DNA polymerase kappa, putative	0.015	0.2634	0.3761
Toxoplasma gondii	hypothetical protein	0.0054	0.0651	0.0863
Giardia lamblia	Histone acetyltransferase GCN5	0.0042	0.0404	0.0523
Leishmania major	DNA damage repair protein, putative	0.0038	0.0306	0.0223
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0159	0.2825	0.4202
Brugia malayi	hypothetical protein	0.0051	0.0582	0.0487
Mycobacterium ulcerans	DNA polymerase IV	0.015	0.2634	0.805
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0267	0.0119
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0067	0.0909	0.1408
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0582	0.0487
Trypanosoma cruzi	squalene synthase, putative	0.0303	0.5799	0.8898
Loa Loa (eye worm)	histone methyltransferase	0.0051	0.0578	0.0482

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 12.2 uM	Inhibition of squalene synthetase was determined in rat liver microsomes	ChEMBL.	3172121

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: CHEMBL1160241

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1135935