TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 561.754 | Formula: C29H58N2O6P
H donors: 1 H acceptors: 3 LogP: 4.74 Rotable bonds: 20
Rule of 5 violations (Lipinski): 2
SMILES: CCCCCCCCCCCCCC1(CCCCOP(=O)(OC2CC[N+](CC2)(C)C)[O])OCC(N1[O-])(C)C
InChi: 1S/C29H58N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-21-29(30(32)28(2,3)26-35-29)22-17-18-25-36-38(33,34)37-27-19-23-31(4,5)24-20-27/h27H,6-26H2,1-5H3
InChiKey: MFQHQBALKAZNSO-UHFFFAOYSA-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
Schistosoma mansoni	microtubule-associated protein tau	0.1404	1	1
Loa Loa (eye worm)	hypothetical protein	0.0172	0.0994	0.1381
Onchocerca volvulus		0.0172	0.0994	0.3082
Echinococcus granulosus	lysosomal alpha glucosidase	0.0165	0.0939	0.0939
Loa Loa (eye worm)	hypothetical protein	0.0172	0.0994	0.1381
Brugia malayi	Muscleblind-like protein	0.06	0.412	0.5723
Loa Loa (eye worm)	hypothetical protein	0.1021	0.7199	1
Echinococcus multilocularis	muscleblind protein 1	0.06	0.412	0.412
Brugia malayi	Carboxylesterase family protein	0.0172	0.0994	0.1381
Schistosoma mansoni	alpha-glucosidase	0.0142	0.0771	0.0771
Onchocerca volvulus		0.0172	0.0994	0.3082
Schistosoma mansoni	acetylcholinesterase	0.0172	0.0994	0.0994
Entamoeba histolytica	hypothetical protein	0.0073	0.0264	1
Brugia malayi	Carboxylesterase family protein	0.1021	0.7199	1
Loa Loa (eye worm)	carboxylesterase	0.0172	0.0994	0.1381
Echinococcus multilocularis	Protein lozenge	0.0057	0.0148	0.0148
Mycobacterium ulcerans	carboxylesterase, LipT	0.0172	0.0994	0.5
Onchocerca volvulus		0.0453	0.3047	1
Loa Loa (eye worm)	hypothetical protein	0.0453	0.3047	0.4233
Schistosoma mansoni	gliotactin	0.0172	0.0994	0.0994
Echinococcus multilocularis	choline O acetyltransferase	0.0178	0.1035	0.1035
Echinococcus multilocularis	neuroligin	0.0172	0.0994	0.0994
Brugia malayi	hypothetical protein	0.0172	0.0994	0.1381
Echinococcus granulosus	acetylcholinesterase	0.1021	0.7199	0.7199
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0201	0.028
Loa Loa (eye worm)	hypothetical protein	0.06	0.412	0.5723
Echinococcus multilocularis	geminin	0.0167	0.0951	0.0951
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0091	0.0126
Echinococcus granulosus	acetylcholinesterase	0.1021	0.7199	0.7199
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0165	0.0939	0.1304
Brugia malayi	Carboxylesterase family protein	0.1021	0.7199	1
Onchocerca volvulus		0.0172	0.0994	0.3082
Echinococcus multilocularis	acetylcholinesterase	0.1021	0.7199	0.7199
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0172	0.0994	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.0172	0.0994	0.0994
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0073	0.0264	0.0264
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0172	0.0994	0.0994
Echinococcus granulosus	geminin	0.0167	0.0951	0.0951
Trichomonas vaginalis	spcc417.12 protein, putative	0.0172	0.0994	1
Loa Loa (eye worm)	hypothetical protein	0.0172	0.0994	0.1381
Entamoeba histolytica	hypothetical protein	0.0073	0.0264	1
Schistosoma mansoni	hypothetical protein	0.0047	0.0079	0.0079
Echinococcus multilocularis	snurportin 1	0.0312	0.2011	0.2011
Onchocerca volvulus		0.0095	0.043	0.1182
Loa Loa (eye worm)	hypothetical protein	0.1021	0.7199	1
Onchocerca volvulus		0.0172	0.0994	0.3082
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0201	0.0201
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0165	0.0939	0.0939
Loa Loa (eye worm)	hypothetical protein	0.0172	0.0994	0.1381
Schistosoma mansoni	transcription factor LCR-F1	0.0073	0.0264	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0091	0.0126
Echinococcus granulosus	neuroligin	0.0172	0.0994	0.0994
Schistosoma mansoni	hypothetical protein	0.0073	0.0264	0.0264
Schistosoma mansoni	hypothetical protein	0.0167	0.0951	0.0951
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0073	0.0264	0.0264
Onchocerca volvulus		0.0172	0.0994	0.3082
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0172	0.0994	0.0994
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0172	0.0994	0.5
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0079	0.011
Loa Loa (eye worm)	choline O-acetyltransferase	0.0178	0.1035	0.1438
Echinococcus granulosus	choline O acetyltransferase	0.0178	0.1035	0.1035
Brugia malayi	hypothetical protein	0.0073	0.0264	0.0367
Echinococcus granulosus	carboxylesterase 5A	0.1021	0.7199	0.7199
Echinococcus granulosus	BC026374 protein S09 family	0.0172	0.0994	0.0994
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0172	0.0994	0.0994
Loa Loa (eye worm)	carboxylesterase	0.1021	0.7199	1
Brugia malayi	Carboxylesterase family protein	0.0172	0.0994	0.1381
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0165	0.0939	0.1304
Loa Loa (eye worm)	hypothetical protein	0.0453	0.3047	0.4233
Brugia malayi	hypothetical protein	0.0453	0.3047	0.4233
Echinococcus granulosus	snurportin 1	0.0312	0.2011	0.2011
Echinococcus multilocularis	carboxylesterase 5A	0.1021	0.7199	0.7199
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0201	0.028
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0172	0.0994	0.5
Echinococcus multilocularis	survival motor neuron protein 1	0.0233	0.1433	0.1433
Entamoeba histolytica	hypothetical protein	0.0073	0.0264	1
Brugia malayi	TAR-binding protein	0.0064	0.0201	0.028
Schistosoma mansoni	alpha-glucosidase	0.0142	0.0771	0.0771
Loa Loa (eye worm)	hypothetical protein	0.0172	0.0994	0.1381
Brugia malayi	Carboxylesterase family protein	0.0172	0.0994	0.1381
Schistosoma mansoni	hypothetical protein	0.0167	0.0951	0.0951
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0172	0.0994	0.1381
Trypanosoma brucei	glucosidase, putative	0.0037	0	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0091	0.0126
Leishmania major	alpha glucosidase II subunit, putative	0.0037	0	0.5
Schistosoma mansoni	hypothetical protein	0.0312	0.2011	0.2011
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.0201	0.0201
Loa Loa (eye worm)	acetylcholinesterase 1	0.1021	0.7199	1
Loa Loa (eye worm)	hypothetical protein	0.06	0.412	0.5723
Brugia malayi	Choline O-acetyltransferase	0.0178	0.1035	0.1438
Brugia malayi	hypothetical protein	0.0233	0.1433	0.1991
Echinococcus multilocularis	acetylcholinesterase	0.1021	0.7199	0.7199
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0079	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0172	0.0994	0.1381
Brugia malayi	Carboxylesterase family protein	0.0172	0.0994	0.1381
Brugia malayi	RNA, U transporter 1	0.0083	0.0339	0.0472
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0201	0.0201
Loa Loa (eye worm)	carboxylesterase	0.0172	0.0994	0.1381
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0172	0.0994	0.0994
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1021	0.7199	0.7199
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0037	0	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0172	0.0994	0.0994
Schistosoma mansoni	choline o-acyltransferase	0.0178	0.1035	0.1035
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0809	0.5649	0.5649
Echinococcus granulosus	tar DNA binding protein	0.0064	0.0201	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0233	0.1433	0.1991
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0172	0.0994	0.0994
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0165	0.0939	0.0939
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0312	0.2011	0.2794
Entamoeba histolytica	hypothetical protein	0.0073	0.0264	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0172	0.0994	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0172	0.0994	0.0994
Echinococcus multilocularis	para nitrobenzyl esterase	0.0172	0.0994	0.0994
Brugia malayi	RNA binding protein	0.0064	0.0201	0.028
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0201	0.028
Echinococcus granulosus	survival motor neuron protein 1	0.0233	0.1433	0.1433
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0	0.5
Brugia malayi	Choline O-acetyltransferase	0.0178	0.1035	0.1438
Loa Loa (eye worm)	runx1	0.0057	0.0148	0.0206
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0201	0.0201
Echinococcus multilocularis	muscleblind protein	0.06	0.412	0.412
Echinococcus multilocularis	microtubule associated protein 2	0.1404	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0201	0.028
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0091	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0178	0.1035	0.1438
Echinococcus granulosus	muscleblind protein	0.06	0.412	0.412
Schistosoma mansoni	lozenge	0.0057	0.0148	0.0148
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0201	0.0201
Echinococcus granulosus	para nitrobenzyl esterase	0.0172	0.0994	0.0994
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0201	0.0201

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: CHEMBL606742

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 1102447