TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 313.348 | Formula: C18H19NO4
H donors: 3 H acceptors: 2 LogP: 2.25 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: COc1c(O)cc2c3c1c1c(C[C@@H]3NCC2)ccc(c1OC)O
InChi: 1S/C18H19NO4/c1-22-17-12(20)4-3-9-7-11-14-10(5-6-19-11)8-13(21)18(23-2)16(14)15(9)17/h3-4,8,11,19-21H,5-7H2,1-2H3/t11-/m0/s1
InChiKey: YHVSWHLQYUURMP-NSHDSACASA-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
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0136	0.065	0.065
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0	0.5
Leishmania major	glycerol uptake protein, putative	0.0136	0.065	1
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0136	0.065	1
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0136	0.065	1
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0136	0.065	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0136	0.065	0.5
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.0136	0.065	0.065
Toxoplasma gondii	hypothetical protein	0.0136	0.065	1
Loa Loa (eye worm)	MBOAT family protein	0.0136	0.065	0.065
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0136	0.065	0.065
Trypanosoma brucei	glycerol uptake protein, putative	0.0136	0.065	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.065	0.065
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0136	0.065	1
Echinococcus granulosus	zinc finger protein	0.1443	0.9118	0.9118
Mycobacterium ulcerans	beta-lactamase	0.0036	0	0.5
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0136	0.065	0.065
Brugia malayi	MBOAT family protein	0.0136	0.065	0.065
Leishmania major	glycerol uptake protein, putative	0.0136	0.065	1
Onchocerca volvulus		0.0136	0.065	1
Trichomonas vaginalis	conserved hypothetical protein	0.0136	0.065	1
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0136	0.065	0.065
Brugia malayi	MBOAT family protein	0.0136	0.065	0.065
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0136	0.065	0.065
Trichomonas vaginalis	porcupine, putative	0.0136	0.065	1
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0136	0.065	0.065
Brugia malayi	diacylglycerol acyltransferase	0.0136	0.065	0.065
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0136	0.065	0.5
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0136	0.065	0.065
Loa Loa (eye worm)	hypothetical protein	0.0136	0.065	0.065
Mycobacterium leprae	conserved hypothetical protein	0.0036	0	0.5
Schistosoma mansoni	hypothetical protein	0.0136	0.065	0.065
Trypanosoma cruzi	GUP1, putative	0.0136	0.065	1
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0136	0.065	0.065
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0136	0.065	0.065
Echinococcus multilocularis	sterol O acyltransferase 1	0.0136	0.065	0.065
Trypanosoma brucei	glycerol uptake protein, putative	0.0136	0.065	1
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0136	0.065	0.065
Leishmania major	glycerol uptake protein, putative	0.0136	0.065	1
Loa Loa (eye worm)	MBOAT family protein	0.1579	1	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.065	0.065
Trypanosoma cruzi	glycerol uptake protein, putative	0.0136	0.065	1
Mycobacterium leprae	Probable lipase LipE	0.0036	0	0.5
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0136	0.065	0.065
Treponema pallidum	alginate O-acetylation protein (algI)	0.0136	0.065	0.5
Loa Loa (eye worm)	hhat protein	0.0136	0.065	0.065
Mycobacterium ulcerans	hypothetical protein	0.0036	0	0.5
Entamoeba histolytica	vacuolar protein sorting 26	0.0136	0.065	0.5
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0136	0.065	0.065
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0136	0.065	1
Trypanosoma cruzi	GUP1, putative	0.0136	0.065	1
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0136	0.065	0.5
Trypanosoma cruzi	glycerol uptake protein, putative	0.0136	0.065	1
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0136	0.065	0.065
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0229	0.1249	1
Leishmania major	glycerol uptake protein, putative	0.0136	0.065	1
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0136	0.065	0.065
Brugia malayi	MBOAT family protein	0.0136	0.065	0.065
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0136	0.065	0.065
Mycobacterium ulcerans	lipase LipD	0.0036	0	0.5
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0136	0.065	0.065
Leishmania major	hypothetical protein, conserved	0.0136	0.065	1
Trichomonas vaginalis	conserved hypothetical protein	0.0136	0.065	1
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.1579	1	1
Schistosoma mansoni	zinc finger protein	0.1579	1	1
Echinococcus granulosus	sterol O acyltransferase 1	0.0136	0.065	0.065
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0136	0.065	0.5
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0136	0.065	0.065
Trypanosoma cruzi	glycerol uptake protein, putative	0.0136	0.065	1
Entamoeba histolytica	hypothetical protein	0.0136	0.065	0.5
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.0136	0.065	0.065
Schistosoma mansoni	sterol O-acyltransferase 1	0.0136	0.065	0.065
Loa Loa (eye worm)	MBOAT family protein	0.0136	0.065	0.065
Echinococcus multilocularis	zinc finger protein	0.1443	0.9118	0.9118
Brugia malayi	MBOAT family protein	0.0136	0.065	0.065
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0136	0.065	0.065
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.1579	1	1
Loa Loa (eye worm)	hhat protein	0.0136	0.065	0.065
Loa Loa (eye worm)	hypothetical protein	0.0136	0.065	0.065
Brugia malayi	Hhat protein	0.0136	0.065	0.065
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0136	0.065	1
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0136	0.065	0.065
Leishmania major	glycerol uptake protein, putative	0.0136	0.065	1
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0136	0.065	0.065

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: CHEMBL512052

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 1009056