TDR Targets

Basic information

Technical information

TDR Targets ID: 1145586
Name: 2-(6-hydroxy-2,5,7,8-tetramethylchroman-2-yl) ethyl-trimethylphosphanium
MW: 309.403 | Formula: C18H30O2P+
H donors: 1 H acceptors: 1 LogP: 3.36 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1c2OC(C)(CCc2c(c(c1C)O)C)CC[P+](C)(C)C
InChi: 1S/C18H29O2P/c1-12-13(2)17-15(14(3)16(12)19)8-9-18(4,20-17)10-11-21(5,6)7/h8-11H2,1-7H3/p+1
InChiKey: CGZNPABCYYQGEF-UHFFFAOYSA-O

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

2-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl)ethyl-trimethyl-phosphonium
2-(6-hydroxy-2,5,7,8-tetramethyl-2-chromanyl)ethyl-trimethylphosphonium
2-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl)ethyl-trimethyl-phosphanium

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	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0943	0.1335
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.1259	0.5
Schistosoma mansoni	aldehyde dehydrogenase	0.0069	0.2334	0.3303
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.1189	0.1682
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.4215	0.4818
Entamoeba histolytica	hypothetical protein	0.0039	0.1189	0.5
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0069	0.2334	0.3303
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.1259	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.1259	0.5
Echinococcus granulosus	beta LACTamase domain containing family member	0.0041	0.1259	0.1781
Brugia malayi	RNA binding protein	0.0134	0.4807	0.5494
Brugia malayi	Pre-SET motif family protein	0.0237	0.8749	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1259	0.1439
Onchocerca volvulus		0.0041	0.1259	0.0297
Echinococcus multilocularis	geminin	0.0193	0.7066	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.1395	0.1594
Schistosoma mansoni	tar DNA-binding protein	0.0134	0.4807	0.6803
Echinococcus granulosus	tar DNA binding protein	0.0134	0.4807	0.6803
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1395	0.1974
Toxoplasma gondii	ABC1 family protein	0.0041	0.1259	0.1993
Mycobacterium leprae	conserved hypothetical protein	0.0041	0.1259	0.5
Mycobacterium leprae	Probable lipase LipE	0.0041	0.1259	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0134	0.4807	0.6803
Echinococcus granulosus	GPCR family 2	0.0034	0.1005	0.1423
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0069	0.2334	1
Schistosoma mansoni	hypothetical protein	0.0034	0.1005	0.1423
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0069	0.2334	0.1274
Brugia malayi	beta-lactamase family protein	0.0041	0.1259	0.1439
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1259	0.1439
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1395	0.1974
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.1259	1
Onchocerca volvulus		0.0041	0.1259	0.0297
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.1189	0.1682
Loa Loa (eye worm)	RNA binding protein	0.0134	0.4807	0.5494
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.4215	0.4818
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.1005	0.1149
Brugia malayi	beta-lactamase	0.0041	0.1259	0.1439
Schistosoma mansoni	hypothetical protein	0.0034	0.1005	0.1423
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0041	0.1259	0.1781
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1395	0.1974
Schistosoma mansoni	hypothetical protein	0.0193	0.7066	1
Brugia malayi	hypothetical protein	0.0039	0.1189	0.1359
Toxoplasma gondii	aldehyde dehydrogenase	0.0069	0.2334	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1395	0.1974
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.1259	0.1781
Entamoeba histolytica	hypothetical protein	0.0039	0.1189	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0109	0.3844	0.4393
Schistosoma mansoni	hypothetical protein	0.0034	0.1005	0.1423
Brugia malayi	Pre-SET motif family protein	0.0034	0.0991	0.1133
Schistosoma mansoni	tar DNA-binding protein	0.0134	0.4807	0.6803
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0034	0.1005	0.1423
Schistosoma mansoni	hypothetical protein	0.0074	0.253	0.358
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.1395	0.1594
Entamoeba histolytica	hypothetical protein	0.0039	0.1189	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1259	0.1439
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0069	0.2334	0.3303
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1259	0.1439
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0034	0.1005	0.1423
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0237	0.8749	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0991	0.1402
Echinococcus granulosus	geminin	0.0193	0.7066	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0034	0.0991	0.1402
Trichomonas vaginalis	set domain proteins, putative	0.027	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1395	0.1974
Schistosoma mansoni	aldehyde dehydrogenase	0.0069	0.2334	0.3303
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0041	0.1259	0.1439
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0034	0.1005	0.1423
Schistosoma mansoni	tar DNA-binding protein	0.0134	0.4807	0.6803
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0034	0.0991	0.1402
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1395	0.1974
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0069	0.2334	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0034	0.0991	0.1402
Echinococcus multilocularis	GPCR, family 2	0.0034	0.1005	0.1423
Echinococcus multilocularis	tar DNA binding protein	0.0134	0.4807	0.6803
Schistosoma mansoni	tar DNA-binding protein	0.0134	0.4807	0.6803
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0034	0.1005	0.1423
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0041	0.1259	0.1439
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1395	0.1974
Brugia malayi	TAR-binding protein	0.0134	0.4807	0.5494
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1005	0.1149
Loa Loa (eye worm)	hypothetical protein	0.0109	0.3844	0.4393
Brugia malayi	latrophilin 2 splice variant baaae	0.0074	0.253	0.2892
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0069	0.2334	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0134	0.4807	0.5494
Brugia malayi	RNA recognition motif domain containing protein	0.0134	0.4807	0.5494
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0991	0.1402
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1259	0.1439
Entamoeba histolytica	hypothetical protein	0.0039	0.1189	0.5
Loa Loa (eye worm)	beta-lactamase	0.0041	0.1259	0.1439
Schistosoma mansoni	hypothetical protein	0.0039	0.1189	0.1682
Loa Loa (eye worm)	TAR-binding protein	0.0134	0.4807	0.5494
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0109	0.3844	0.4393
Schistosoma mansoni	hypothetical protein	0.0034	0.1005	0.1423
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0991	0.1133
Brugia malayi	beta-lactamase family protein	0.0041	0.1259	0.1439
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0991	0.1402
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.1005	0.1149
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0109	0.3844	0.4393
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0034	0.0991	0.1402
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.1259	0.1781
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1259	0.1439
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0262	0.9702	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.253	0.2892
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.1189	0.1682
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.1005	0.1149
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0069	0.2334	1
Schistosoma mansoni	hypothetical protein	0.0193	0.7066	1
Brugia malayi	MH2 domain containing protein	0.0118	0.4215	0.4818
Onchocerca volvulus		0.0041	0.1259	0.0297

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: CHEMBL1185907

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1145586