TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 358.342 | Formula: C19H18O7
H donors: 2 H acceptors: 3 LogP: 2.06 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)oc(c(c2=O)O)c1cc(OC)c(cc1CO)OC
InChi: 1S/C19H18O7/c1-23-11-4-5-12-14(7-11)26-19(18(22)17(12)21)13-8-16(25-3)15(24-2)6-10(13)9-20/h4-8,20,22H,9H2,1-3H3
InChiKey: AIGLPXBRWXIQCI-UHFFFAOYSA-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
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0038	0.0658	0.2735
Giardia lamblia	Fructose-bisphosphate aldolase	0.0301	0.8584	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0038	0.0658	0.2735
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0094	0.2354	0.9791
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.1476	0.6139
Treponema pallidum	fructose-bisphosphate aldolase	0.0301	0.8584	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0029	0.0075
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0246	0.1021
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0104	0.2662	0.2529
Chlamydia trachomatis	hypothetical protein	0.0019	0.0097	0.0158
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0038	0.0658	0.0658
Trypanosoma cruzi	CAAX prenyl protease 2, putative	0.0094	0.2354	0.9791
Plasmodium falciparum	protease, putative	0.0019	0.0097	0.0363
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.1476	0.6139
Leishmania major	glucose-6-phosphate 1-dehydrogenase, putative	0.0096	0.2405	1
Echinococcus multilocularis	glucose 6 phosphate 1 dehydrogenase	0.0096	0.2405	0.2405
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0038	0.0658	0.2735
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0246	0.1021
Trichomonas vaginalis	6-phosphogluconolactonase, putative	0.0104	0.2662	0.2529
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0029	0.0075
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0147	0.3942	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0246	0.0623
Trypanosoma cruzi	peptidase with unknown catalytic mechanism (family U48)	0.0094	0.2354	0.9791
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.1057	0.4397
Trypanosoma cruzi	Glucose-6-phosphate dehydrogenase, putative	0.0031	0.0441	0.1834
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.1476	0.6139
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.1476	0.6139
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.8584	1
Plasmodium vivax	glucose-6-phosphate 1-dehydrogenase, putative	0.0104	0.2662	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.8584	1
Loa Loa (eye worm)	RNA binding protein	0.0065	0.1476	0.6139
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.1476	0.6139
Brugia malayi	TAR-binding protein	0.0065	0.1476	0.6139
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0246	0.0479
Schistosoma mansoni	hypothetical protein	0.0035	0.0567	0.236
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0094	0.2354	0.9791
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0246	0.0479
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0038	0.0658	0.0658
Echinococcus granulosus	CAAX prenyl protease 2	0.0094	0.2354	0.2354
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0059	0.0247
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0567	0.236
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.1057	0.4397
Mycobacterium ulcerans	hypothetical protein	0.0019	0.0097	0.0095
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0038	0.0658	0.2735
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0246	0.0479
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0246	0.0479
Mycobacterium tuberculosis	Probable conserved integral membrane protein	0.0019	0.0097	0.0245
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.1476	0.6139
Mycobacterium ulcerans	integral membrane protein	0.0019	0.0097	0.0095
Loa Loa (eye worm)	glucose-6-phosphate dehydrogenase	0.0096	0.2405	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0246	0.0479
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.8584	1
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.0032	0.0469	0.195
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0301	0.8584	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.8584	1
Leishmania major	CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48)	0.0094	0.2354	0.9791
Brugia malayi	CAAX amino terminal protease family protein	0.0094	0.2354	0.9791
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.1057	0.4397
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0246	0.0623
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1057	0.4397
Trypanosoma brucei	CAAX amino terminal protease, putative	0.0094	0.2354	0.9791
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0246	0.1021
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0038	0.0658	0.2735
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0038	0.0658	0.2735
Onchocerca volvulus		0.0051	0.1045	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0059	0.0223
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.8584	1
Schistosoma mansoni	cellular tumor antigen P53	0.0051	0.1045	0.4346
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0246	0.0479
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0246	0.1021
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.1476	0.1476
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0147	0.3942	1
Giardia lamblia	Hypothetical protein	0.0094	0.2354	0.2141
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0059	0.0247
Mycobacterium tuberculosis	Probable integral membrane protein	0.0019	0.0097	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0059	0.0247
Treponema pallidum	glucose-6-phosphate 1-dehydrogenase	0.0096	0.2405	0.272
Echinococcus granulosus	ubiquitin specific protease 41	0.0038	0.0658	0.0658
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.0063	0.14	0.3453
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0038	0.0658	0.0661
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.1476	0.6139
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0059	0.0247
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0038	0.0658	0.2735
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0246	0.0176
Giardia lamblia	Glucose-6-phosphate 1-dehydrogenase	0.0104	0.2662	0.2529
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.8584	1
Trichomonas vaginalis	Clan U, family U48, CaaX prenyl peptidase 2-like	0.0094	0.2354	0.2141
Entamoeba histolytica	CAAX prenyl protease family	0.0094	0.2354	0.266
Mycobacterium ulcerans	hypothetical protein	0.0019	0.0097	0.0095
Chlamydia trachomatis	glucose-6-phosphate 1-dehydrogenase	0.0096	0.2405	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.8584	1
Brugia malayi	glucose-6-phosphate dehydrogenase	0.0096	0.2405	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0246	0.0479
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0246	0.1021
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0246	0.1021
Echinococcus granulosus	tar DNA binding protein	0.0065	0.1476	0.1476
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.1476	0.6139
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0567	0.236
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0038	0.0658	0.0658
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.8584	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0147	0.3942	1
Echinococcus granulosus	glucose 6 phosphate 1 dehydrogenase	0.0096	0.2405	0.2405
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0301	0.8584	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0246	0.1021
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0658	0.2735
Schistosoma mansoni	glucose-6-phosphate 1-dehydrogenase	0.0096	0.2405	1
Plasmodium falciparum	glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	0.0104	0.2662	1
Echinococcus multilocularis	CAAX prenyl protease 2	0.0094	0.2354	0.2354
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0104	0.2662	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0097	0.0245
Echinococcus multilocularis	tumor protein p63	0.0348	1	1
Toxoplasma gondii	CAAX amino terminal protease family protein	0.0019	0.0097	0.0363
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0246	0.1021
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0059	0.0151
Mycobacterium tuberculosis	Probable conserved integral membrane protein	0.0019	0.0097	0.0245
Brugia malayi	RNA binding protein	0.0065	0.1476	0.6139
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0246	0.0176
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0104	0.2662	0.2529
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.0096	0.2405	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0059	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0094	0.2354	0.9791
Toxoplasma gondii	hypothetical protein	0.0019	0.0097	0.0363
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0246	0.1021
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0063	0.14	0.526
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0038	0.0658	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1045	0.4346
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0029	0.0075
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0029	0.0075
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0059	0.0223
Plasmodium vivax	protease, putative	0.0019	0.0097	0.0363
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0246	0.0176
Trypanosoma brucei	glucose-6-phosphate 1-dehydrogenase	0.0096	0.2405	1
Toxoplasma gondii	hypothetical protein	0.0019	0.0097	0.0363
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.0096	0.2405	0.604
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0246	0.0479
Echinococcus multilocularis	ubiquitin specific protease 41	0.0038	0.0658	0.0658
Mycobacterium tuberculosis	Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD)	0.0033	0.0514	0.1303

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: CHEMBL601915

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 1098124