TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 375.373 | Formula: C19H21NO7
H donors: 2 H acceptors: 3 LogP: 1.5 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(cc(c1OC)OC)N1C(=O)[C@H]([C@H]1c1ccc(c(c1)O)OC)O
InChi: 1S/C19H21NO7/c1-24-13-6-5-10(7-12(13)21)16-17(22)19(23)20(16)11-8-14(25-2)18(27-4)15(9-11)26-3/h5-9,16-17,21-22H,1-4H3/t16-,17+/m1/s1
InChiKey: FXBUZDKZIHOPBO-SJORKVTESA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Loa Loa (eye worm)	tubulin beta-1 chain	0.0017	0.0475	0.0475
Trypanosoma brucei	alpha tubulin	0.0017	0.0475	1
Brugia malayi	Tubulin beta-1 chain	0.0017	0.0475	0.0475
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0027	0.1061	1
Schistosoma mansoni	hypothetical protein	0.0038	0.1795	0.3891
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.1795	0.1795
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.3868	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.1061	0.5
Loa Loa (eye worm)	alpha-tubulin	0.0017	0.0475	0.0475
Trypanosoma cruzi	epsilon tubulin, putative	0.0017	0.0475	0.5
Echinococcus granulosus	tar DNA binding protein	0.0071	0.3868	0.3562
Loa Loa (eye worm)	hypothetical protein	0.002	0.0636	0.0636
Loa Loa (eye worm)	hypothetical protein	0.002	0.0636	0.0636
Giardia lamblia	Gamma tubulin	0.0017	0.0475	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0499	0.0025
Brugia malayi	RNA binding protein	0.0071	0.3868	0.3868
Loa Loa (eye worm)	alpha-tubulin	0.0017	0.0475	0.0475
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.1061	1
Loa Loa (eye worm)	TAR-binding protein	0.0071	0.3868	0.3868
Plasmodium falciparum	acyl-CoA synthetase	0.002	0.0636	1
Toxoplasma gondii	beta-1 tubulin, putative	0.0017	0.0475	0.5
Trypanosoma cruzi	alpha tubulin, putative	0.0017	0.0475	0.5
Echinococcus multilocularis	muscleblind protein 1	0.0169	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0017	0.0475	1
Schistosoma mansoni	hypothetical protein	0.0018	0.0499	0.007
Schistosoma mansoni	hypothetical protein	0.0018	0.0499	0.007
Trypanosoma brucei	epsilon tubulin	0.0017	0.0475	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1061	0.1061
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1061	0.1061
Trichomonas vaginalis	tubulin beta chain, putative	0.0017	0.0475	1
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.3868	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.1061	1
Loa Loa (eye worm)	hypothetical protein	0.0169	1	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0071	0.3868	0.3868
Trichomonas vaginalis	tubulin beta chain, putative	0.0017	0.0475	1
Loa Loa (eye worm)	tubulin alpha chain	0.0017	0.0475	0.0475
Loa Loa (eye worm)	tubulin beta-2A chain	0.0017	0.0475	0.0475
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0499	0.0025
Plasmodium vivax	acyl-CoA synthetase, putative	0.002	0.0636	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0017	0.0475	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0017	0.0475	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0017	0.0475	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0017	0.0475	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.1061	0.5
Trypanosoma brucei	alpha tubulin	0.0017	0.0475	1
Trypanosoma brucei	beta tubulin	0.0017	0.0475	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0017	0.0475	0.5
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0017	0.0475	0.5
Trypanosoma brucei	epsilon tubulin	0.0017	0.0475	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0499	0.0499
Echinococcus granulosus	GPCR family 2	0.0018	0.0499	0.0025
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0499	0.0025
Loa Loa (eye worm)	tubulin beta-4 chain	0.0017	0.0475	0.0475
Schistosoma mansoni	hypothetical protein	0.0018	0.0499	0.007
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.1061	0.1061
Brugia malayi	Tubulin alpha-2 chain	0.0017	0.0475	0.0475
Trypanosoma brucei	beta tubulin	0.0017	0.0475	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0027	0.1061	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0017	0.0475	1
Toxoplasma gondii	alpha-tubulin I, putative	0.0017	0.0475	0.5
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0027	0.1061	1
Trypanosoma brucei	epsilon tubulin	0.0017	0.0475	1
Trypanosoma brucei	beta tubulin	0.0017	0.0475	1
Giardia lamblia	Beta tubulin	0.0017	0.0475	0.5
Trypanosoma brucei	tubulin gamma chain	0.0017	0.0475	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0017	0.0475	1
Loa Loa (eye worm)	hypothetical protein	0.0169	1	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.1061	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.2912	0.2912
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0027	0.1061	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0017	0.0475	1
Onchocerca volvulus		0.0027	0.1061	1
Trypanosoma brucei	alpha tubulin	0.0017	0.0475	1
Toxoplasma gondii	beta tubulin	0.0017	0.0475	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.2912	0.2912
Giardia lamblia	Alpha-tubulin	0.0017	0.0475	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0499	0.0499
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0027	0.1061	1
Giardia lamblia	Alpha-tubulin	0.0017	0.0475	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.3868	1
Brugia malayi	alpha-tubulin	0.0017	0.0475	0.0475
Echinococcus multilocularis	tar DNA binding protein	0.0071	0.3868	0.3562
Loa Loa (eye worm)	tubulin alpha chain	0.0017	0.0475	0.0475
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0017	0.0475	0.0475
Loa Loa (eye worm)	hypothetical protein	0.002	0.0636	0.0636
Loa Loa (eye worm)	RNA binding protein	0.0071	0.3868	0.3868
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.2912	0.2912
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.002	0.0636	0.5
Echinococcus multilocularis	muscleblind protein	0.0169	1	1
Loa Loa (eye worm)	tubulin beta chain	0.0017	0.0475	0.0475
Mycobacterium ulcerans	hypothetical protein	0.0027	0.1061	1
Trypanosoma cruzi	tubulin gamma chain	0.0017	0.0475	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0475	0.0475
Trichomonas vaginalis	tubulin gamma chain, putative	0.0017	0.0475	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.2912	0.2912
Toxoplasma gondii	beta-tubulin, putative	0.0017	0.0475	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.3868	1
Schistosoma mansoni	hypothetical protein	0.0018	0.0499	0.007
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0499	0.0025
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0027	0.1061	1
Brugia malayi	TAR-binding protein	0.0071	0.3868	0.3868
Trichomonas vaginalis	tubulin gamma chain, putative	0.0017	0.0475	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1795	0.1795
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.1061	0.1061
Loa Loa (eye worm)	hypothetical protein	0.002	0.0636	0.0636
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.1061	1
Trypanosoma cruzi	beta tubulin, putative	0.0017	0.0475	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1061	0.1061
Trichomonas vaginalis	tubulin, putative	0.0017	0.0475	1
Brugia malayi	RNA recognition motif domain containing protein	0.0071	0.3868	0.3868
Trypanosoma brucei	alpha tubulin	0.0017	0.0475	1
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.1061	0.1061
Trichomonas vaginalis	tubulin beta chain, putative	0.0017	0.0475	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.1061	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0499	0.0499
Trypanosoma cruzi	epsilon tubulin, putative	0.0017	0.0475	0.5
Loa Loa (eye worm)	tubulin gamma chain	0.0017	0.0475	0.0475
Brugia malayi	beta-tubulin, identical	0.0017	0.0475	0.0475
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0499	0.0499
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.1061	1
Brugia malayi	tubulin alpha chain - mouse	0.0017	0.0475	0.0475
Loa Loa (eye worm)	BEN-1 protein	0.0017	0.0475	0.0475
Echinococcus granulosus	muscleblind protein	0.0169	1	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.1061	1
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.3868	1
Trypanosoma brucei	beta tubulin	0.0017	0.0475	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0027	0.1061	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0017	0.0475	1
Giardia lamblia	Beta tubulin	0.0017	0.0475	0.5
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.1061	1
Brugia malayi	tubulin alpha-2 chain	0.0017	0.0475	0.0475
Loa Loa (eye worm)	BEN-1 protein	0.0017	0.0475	0.0475
Brugia malayi	Tubulin alpha-2 chain	0.0017	0.0475	0.0475
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.0636	0.139
Loa Loa (eye worm)	hypothetical protein	0.002	0.0636	0.0636
Brugia malayi	Tubulin alpha chain	0.0017	0.0475	0.0475
Trichomonas vaginalis	tubulin gamma chain, putative	0.0017	0.0475	1
Brugia malayi	Tubulin gamma chain	0.0017	0.0475	0.0475
Trichomonas vaginalis	tubulin beta chain, putative	0.0017	0.0475	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0017	0.0475	1
Giardia lamblia	Beta tubulin	0.0017	0.0475	0.5
Trypanosoma brucei	beta tubulin	0.0017	0.0475	1
Loa Loa (eye worm)	beta-tubulin	0.0017	0.0475	0.0475
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0499	0.0025

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: CHEMBL2032214

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 1694249