TDR Targets

Basic information

Technical information

TDR Targets ID: 1419615
Name: ZINC02623403
MW: 339.34 | Formula: C16H21NO7
H donors: 0 H acceptors: 2 LogP: 0.84 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(OC)c(cc1C(=O)OCC(=O)N1CCOCC1)OC
InChi: 1S/C16H21NO7/c1-20-12-9-14(22-3)13(21-2)8-11(12)16(19)24-10-15(18)17-4-6-23-7-5-17/h8-9H,4-7,10H2,1-3H3
InChiKey: VQIAGGHCGAWCGH-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

Oprea1_692798
T5262917

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	transcription factor LCR-F1	0.0073	0.0206	0.0206
Echinococcus granulosus	nibrin	0.001	0.0004	0.0004
Echinococcus granulosus	tumor protein p63	0.0353	0.1106	0.1106
Schistosoma mansoni	sodium/solute symporter	0.0796	0.253	0.253
Schistosoma mansoni	topbp1	0.001	0.0004	0.0004
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0051	0.02
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0027	0.173
Toxoplasma gondii	ATPase, AAA family protein	0.001	0.0004	0.0014
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0051	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0022	0.0022
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0051	0.2334
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0051	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0027	0.173
Echinococcus multilocularis	microtubule associated protein 2	0.14	0.4472	0.4472
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.0004	0.5
Schistosoma mansoni	chromosome transmission fidelity factor	0.001	0.0004	0.0004
Schistosoma mansoni	microtubule-associated protein tau	0.14	0.4472	0.4472
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0022	0.0022
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0073	0.0206	0.0206
Echinococcus multilocularis	nibrin	0.001	0.0004	0.0004
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0065	0.0181	0.0713
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0137	0.0542
Loa Loa (eye worm)	hypothetical protein	0.0796	0.253	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0206	0.0633	0.2501
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0016	0.0022	0.6996
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0181	0.0713
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0004	0.5
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0016	0.0022	0.6996
Schistosoma mansoni	inositol transporter	0.3119	1	1
Toxoplasma gondii	transporter, solute:sodium symporter (SSS) family protein	0.0796	0.253	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0031	0.5737
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0014
Echinococcus granulosus	GPCR family 2	0.0065	0.0181	0.0181
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0014
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0022	0.0089
Echinococcus granulosus	replication factor c subunit 1	0.001	0.0004	0.0004
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0016	0.0022	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0065	0.0181	0.0181
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0022	1
Echinococcus multilocularis	tumor protein p63	0.0353	0.1106	0.1106
Schistosoma mansoni	serine/threonine protein kinase	0.0235	0.0726	0.0726
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0016	0.0022	1
Entamoeba histolytica	hypothetical protein	0.0073	0.0206	1
Echinococcus granulosus	sodium coupled monocarboxylate transporter 1	0.0796	0.253	0.253
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0014
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0051	0.2334
Entamoeba histolytica	hypothetical protein	0.0073	0.0206	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0051	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0051	1
Onchocerca volvulus		0.0796	0.253	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0031	0.0121
Echinococcus multilocularis	GPCR, family 2	0.0065	0.0181	0.0181
Brugia malayi	latrophilin 2 splice variant baaae	0.0141	0.0424	0.1674
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0051	0.02
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0027	0.173
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0073	0.0206	0.0206
Echinococcus multilocularis	solute carrier family 5	0.3119	1	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0031	0.2879
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0065	0.0181	0.0181
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0022	0.0022
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.3119	1	1
Onchocerca volvulus		0.0025	0.0051	0.02
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.0004	0.5
Brugia malayi	GH02984p	0.0796	0.253	1
Schistosoma mansoni	inositol transporter	0.3119	1	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0065	0.0181	0.0713
Schistosoma mansoni	DNA ligase IV	0.001	0.0004	0.0004
Onchocerca volvulus		0.001	0.0004	0.0014
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.001	0.0004	0.5
Brugia malayi	Pax transcription activation domain interacting protein	0.001	0.0004	0.0014
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0022	0.0089
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0022	0.0089
Schistosoma mansoni	hypothetical protein	0.0065	0.0181	0.0181
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0022	0.0089
Trichomonas vaginalis	replication factor C large subunit, putative	0.001	0.0004	0.5
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0022	0.0022
Brugia malayi	Latrophilin receptor protein 2	0.0065	0.0181	0.0713
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.001	0.0004	0.0014
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0206	0.0633	0.2501
Echinococcus multilocularis	replication factor c subunit 1	0.001	0.0004	0.0004
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0004	0.5
Treponema pallidum	DNA ligase (lig)	0.001	0.0004	0.5
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0051	1
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0004	0.5
Schistosoma mansoni	topbp1	0.001	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0796	0.253	1
Echinococcus granulosus	c-Jun N-terminal kinases	0.0235	0.0726	0.0726
Schistosoma mansoni	hypothetical protein	0.0065	0.0181	0.0181
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0051	1
Schistosoma mansoni	cellular tumor antigen P53	0.0052	0.0137	0.0137
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0051	0.02
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0031	0.0121
Entamoeba histolytica	hypothetical protein	0.0073	0.0206	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0027	0.173
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0022	0.0089
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0014
Schistosoma mansoni	hypothetical protein	0.0141	0.0424	0.0424
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.3119	1	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0065	0.0181	0.0181
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0014
Echinococcus multilocularis	sodium coupled monocarboxylate transporter 1	0.0796	0.253	0.253
Echinococcus granulosus	microtubule associated protein 2	0.14	0.4472	0.4472
Brugia malayi	DKFZp564C0469 protein	0.001	0.0004	0.0014
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0051	1
Echinococcus multilocularis	c Jun NH2 terminal kinase	0.0235	0.0726	0.0726
Loa Loa (eye worm)	hypothetical protein	0.0206	0.0633	0.2501
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0031	0.0121
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0004	0.5
Echinococcus granulosus	solute carrier family 5	0.3119	1	1
Brugia malayi	N-terminal motif family protein	0.0182	0.0558	0.2205
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0031	1
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0004	0.5
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0424	0.1674
Giardia lamblia	Replication factor C, subunit 1	0.001	0.0004	0.5
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0558	0.2205
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0182	0.0558	0.2205
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0051	1
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	0.0235	0.0726	0.2871
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0051	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0051	1
Brugia malayi	hypothetical protein	0.001	0.0004	0.0014
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0031	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0022	0.0022
Brugia malayi	hypothetical protein	0.0073	0.0206	0.0813
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0051	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0031	0.0121
Echinococcus granulosus	high affinity choline transporter 1	0.0796	0.253	0.253
Onchocerca volvulus		0.0052	0.0137	0.0542
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0051	1
Schistosoma mansoni	hypothetical protein	0.0065	0.0181	0.0181
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.0051	0.2334
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0051	0.02
Echinococcus granulosus	sodium:glucose cotransporter 2	0.3119	1	1
Brugia malayi	hypothetical protein	0.001	0.0004	0.0014
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0022	0.0022
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0014
Brugia malayi	Sodium:solute symporter family protein	0.0796	0.253	1
Entamoeba histolytica	hypothetical protein	0.0073	0.0206	1
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0004	0.5
Echinococcus multilocularis	high affinity choline transporter 1	0.0796	0.253	0.253
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0051	1
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0004	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0031	0.0121
Brugia malayi	Stress-activated protein kinase jnk-1	0.0235	0.0726	0.2871
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0051	0.02
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0031	1
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0051	1
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0022	1
Schistosoma mansoni	hypothetical protein	0.0065	0.0181	0.0181
Echinococcus granulosus	sodium:myo inositol cotransporter	0.3119	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0206	0.0633	0.2501
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0022	0.0022
Brugia malayi	topoisomerase	0.001	0.0004	0.0014
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0065	0.0181	0.0181
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.001	0.0004	0.0014
Schistosoma mansoni	hypothetical protein	0.0073	0.0206	0.0206
Schistosoma mansoni	high-affinity choline transporter	0.0796	0.253	0.253
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0051	0.02
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0051	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: CHEMBL1571329

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1419615