TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 478.771 | Formula: C30H56NO3+
H donors: 0 H acceptors: 0 LogP: 9.37 Rotable bonds: 26
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCCCCCCCCCCOCC(COCCCC[n+]1ccccc1)OCC
InChi: 1S/C30H56NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-21-26-32-28-30(34-4-2)29-33-27-22-20-25-31-23-18-17-19-24-31/h17-19,23-24,30H,3-16,20-22,25-29H2,1-2H3/q+1
InChiKey: AOSUQYQPEFGRPR-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
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0124	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0776	0.5
Loa Loa (eye worm)	hypothetical protein	0.005	0.111	0.3083
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0124	0.0343
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0305	0.2787
Brugia malayi	beta-lactamase	0.0039	0.0776	0.2014
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0776	0.2155
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0305	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0124	0.0343
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0776	0.5
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0039	0.0776	0.0961
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0248	0.7189	1
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0477	0.1326
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.0776	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0305	0.0298
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0131	0.3602	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0039	0.0776	0.0961
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0776	0.2155
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0305	0.0848
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.3602	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0124	0.0343
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0776	0.2155
Loa Loa (eye worm)	transcription factor SMAD2	0.0128	0.3507	0.9738
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0776	0.2155
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0776	0.5
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0776	0.0961
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.0776	0.5
Onchocerca volvulus		0.005	0.111	1
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0305	0.2787
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0477	0.1326
Echinococcus multilocularis	musashi	0.0029	0.0477	0.0462
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0776	0.2014
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0039	0.0776	0.0961
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0776	0.2155
Mycobacterium ulcerans	beta-lactamase	0.0039	0.0776	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0305	0.2787
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.111	0.2026
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0124	0.0343
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0305	0.5
Loa Loa (eye worm)	RNA binding protein	0.0131	0.3602	1
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.3602	1
Mycobacterium tuberculosis	Probable hydrolase	0.0039	0.0776	0.0961
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0776	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0064	0.0177
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0305	0.2787
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0305	0.2787
Mycobacterium leprae	Probable lipase LipE	0.0039	0.0776	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0124	0.0343
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0305	0.0684
Leishmania major	hypothetical protein, conserved	0.0039	0.0776	1
Echinococcus granulosus	tar DNA binding protein	0.0131	0.3602	0.3591
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0305	0.5
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0305	0.2787
Brugia malayi	RNA binding protein	0.0131	0.3602	1
Echinococcus multilocularis	tumor protein p63	0.0339	1	1
Brugia malayi	TAR-binding protein	0.0131	0.3602	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0305	0.0848
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.0776	1
Toxoplasma gondii	ABC1 family protein	0.0039	0.0776	0.5
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0776	0.0961
Mycobacterium tuberculosis	Probable lipase LipD	0.0039	0.0776	0.0961
Echinococcus multilocularis	lamin dm0	0.0029	0.0477	0.0462
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0305	0.2787
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0305	0.0684
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0776	0.0961
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.3602	1
Trichomonas vaginalis	esterase, putative	0.0039	0.0776	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0305	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0776	0.2155
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0776	0.5
Brugia malayi	beta-lactamase family protein	0.0039	0.0776	0.2014
Mycobacterium ulcerans	lipase LipD	0.0039	0.0776	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0776	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0461	0.128
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.3602	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0305	0.5
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0477	0.1326
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0776	0.0956
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0776	0.5
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0124	0.0041
Echinococcus multilocularis	tar DNA binding protein	0.0131	0.3602	0.3591
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0776	0.0956
Mycobacterium tuberculosis	Probable lipase LipE	0.0039	0.0776	0.0961
Brugia malayi	intermediate filament protein	0.0029	0.0477	0.117
Brugia malayi	MH2 domain containing protein	0.0128	0.3507	0.9733
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0776	0.2155
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0305	0.0848
Mycobacterium tuberculosis	Probable esterase LipL	0.0039	0.0776	0.0961
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0016	0.0045
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.3602	1
Brugia malayi	beta-lactamase family protein	0.0039	0.0776	0.2014
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0776	0.0761
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0305	0.2787
Onchocerca volvulus		0.0039	0.0776	0.5848
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0776	0.5
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0776	0.0761
Mycobacterium leprae	conserved hypothetical protein	0.0039	0.0776	1
Onchocerca volvulus		0.0039	0.0776	0.5848
Onchocerca volvulus		0.0029	0.0477	0.2137
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0124	0.5
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0477	0.117
Onchocerca volvulus		0.0039	0.0776	0.5848
Echinococcus granulosus	lamin dm0	0.0029	0.0477	0.0462
Echinococcus multilocularis	lamin	0.0029	0.0477	0.0462
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0776	0.2155
Loa Loa (eye worm)	MH2 domain-containing protein	0.0128	0.3507	0.9738
Loa Loa (eye worm)	TAR-binding protein	0.0131	0.3602	1
Echinococcus granulosus	lamin	0.0029	0.0477	0.0462
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0776	1
Onchocerca volvulus		0.0029	0.0477	0.2137
Echinococcus granulosus	intermediate filament protein	0.0029	0.0477	0.0462
Brugia malayi	RNA recognition motif domain containing protein	0.0131	0.3602	1

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: CHEMBL1179015

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 1144126