TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 286.322 | Formula: C17H18O4
H donors: 1 H acceptors: 1 LogP: 3.4 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)CCc1c2c(OC)c(c(c1)O)OC
InChi: 1S/C17H18O4/c1-19-12-6-7-13-10(8-12)4-5-11-9-14(18)16(20-2)17(21-3)15(11)13/h6-9,18H,4-5H2,1-3H3
InChiKey: QOROJTCHQYSUPK-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
Mycobacterium leprae	conserved hypothetical protein	0.0183	0.1352	1
Echinococcus granulosus	snurportin 1	0.0308	0.2441	0.8905
Onchocerca volvulus		0.0082	0.0467	0.3337
Schistosoma mansoni	agrin	0.0039	0.009	0.0096
Mycobacterium ulcerans	lipase LipD	0.0183	0.1352	0.113
Echinococcus multilocularis	lamin dm0	0.0082	0.0467	0.1703
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0023	0.0025
Onchocerca volvulus	Putative organic anion transporter	0.0057	0.025	0.1703
Schistosoma mansoni	glutaminase	0.111	0.9473	1
Loa Loa (eye worm)	glutaminase	0.111	0.9473	1
Brugia malayi	intermediate filament protein	0.0082	0.0467	0.0493
Echinococcus granulosus	lamin dm0	0.0082	0.0467	0.1703
Brugia malayi	SPARC precursor	0.0039	0.009	0.0096
Schistosoma mansoni	hypothetical protein	0.0342	0.2741	0.2893
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0043	0.0128	0.0944
Trichomonas vaginalis	penicillin-binding protein, putative	0.0183	0.1352	0.1371
Onchocerca volvulus		0.0183	0.1352	1
Echinococcus granulosus	geminin	0.0342	0.2741	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0183	0.1352	1
Plasmodium falciparum	histone acetyltransferase GCN5	0.004	0.0096	1
Mycobacterium ulcerans	class a beta-lactamase, BlaC	0.0136	0.0936	0.0675
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0183	0.1352	0.1068
Onchocerca volvulus		0.0057	0.025	0.1703
Plasmodium vivax	basic transcription factor 3b, putative	0.0036	0.0062	0.0462
Trypanosoma brucei	hypothetical protein, conserved	0.0183	0.1352	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.009	0.0096
Schistosoma mansoni	chromobox protein	0.0072	0.0375	0.0396
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0312	0.033
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0183	0.1352	0.1068
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.004	0.0099	0.0571
Trichomonas vaginalis	D-aminoacylase, putative	0.0183	0.1352	0.1371
Mycobacterium ulcerans	glutaminase	0.111	0.9473	1
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0126	0.0068
Echinococcus granulosus	transcription factor btf3	0.0036	0.0062	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0183	0.1352	0.1428
Brugia malayi	beta-NAC-like protein	0.0036	0.0062	0.0066
Schistosoma mansoni	follistatin	0.0039	0.009	0.0096
Onchocerca volvulus		0.0057	0.025	0.1703
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0183	0.1352	0.1428
Loa Loa (eye worm)	hypothetical protein	0.0039	0.009	0.0096
Loa Loa (eye worm)	sodium-independent organic anion transporter	0.0057	0.025	0.0264
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0312	0.033
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0082	0.0086
Schistosoma mansoni	transcription factor btf3	0.0036	0.0062	0.0066
Loa Loa (eye worm)	beta-lactamase	0.0183	0.1352	0.1428
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0312	0.033
Loa Loa (eye worm)	hypothetical protein	0.0039	0.009	0.0096
Onchocerca volvulus	Putative organic anion transporter	0.0057	0.025	0.1703
Brugia malayi	glutaminase DH11.1	0.111	0.9473	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0183	0.1352	0.1371
Loa Loa (eye worm)	hypothetical protein	0.0057	0.025	0.0264
Brugia malayi	RNA binding protein	0.0064	0.0312	0.033
Echinococcus multilocularis	organic anion transporting polypeptide 30B	0.0057	0.025	0.0911
Echinococcus multilocularis	follistatin	0.0039	0.009	0.033
Echinococcus granulosus	chromobox protein 1	0.0072	0.0375	0.1368
Schistosoma mansoni	chromobox protein	0.0072	0.0375	0.0396
Mycobacterium ulcerans	multidrug-transport integral membrane protein Mmr	0.0199	0.1486	0.1276
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0183	0.1352	0.1428
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0099	0.0039
Brugia malayi	TAR-binding protein	0.0064	0.0312	0.033
Brugia malayi	sodium-independent organic anion transporter family protein	0.0057	0.025	0.0264
Echinococcus multilocularis	chromobox protein 1	0.0072	0.0375	0.1368
Echinococcus multilocularis	snurportin 1	0.0308	0.2441	0.8905
Onchocerca volvulus		0.0183	0.1352	1
Schistosoma mansoni	hypothetical protein	0.0053	0.0209	0.022
Schistosoma mansoni	hypothetical protein	0.0308	0.2441	0.2577
Toxoplasma gondii	NAC domain-containing protein	0.0036	0.0062	0.0462
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0148	0.104	0.1098
Onchocerca volvulus		0.0183	0.1352	1
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0039	0.009	0.0669
Echinococcus granulosus	Solute carrier organic anion transporter family	0.0057	0.025	0.0911
Brugia malayi	cytoplasmic intermediate filament protein	0.0044	0.0133	0.014
Brugia malayi	Intermediate filament tail domain containing protein	0.0082	0.0467	0.0493
Brugia malayi	hypothetical protein	0.0057	0.025	0.0264
Echinococcus multilocularis	chromobox protein 1	0.0072	0.0375	0.1368
Echinococcus granulosus	organic anion transporting polypeptide 30B	0.0057	0.025	0.0911
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0312	0.033
Mycobacterium leprae	Probable lipase LipE	0.0183	0.1352	1
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0312	0.033
Brugia malayi	prostaglandin transporter	0.0057	0.025	0.0264
Echinococcus granulosus	intermediate filament protein	0.0082	0.0467	0.1703
Mycobacterium tuberculosis	Probable lipase LipD	0.0183	0.1352	0.1068
Schistosoma mansoni	lamin	0.0082	0.0467	0.0493
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0039	0.009	0.0669
Echinococcus multilocularis	musashi	0.0082	0.0467	0.1703
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0082	0.0086
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0143	0.1004	0.3662
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0183	0.1352	0.1428
Trichomonas vaginalis	chromobox protein, putative	0.0072	0.0375	0.0332
Toxoplasma gondii	protease inhibitor PI2	0.0039	0.009	0.0669
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0039	0.009	0.0096
Loa Loa (eye worm)	acetyltransferase	0.0148	0.104	0.1098
Brugia malayi	hypothetical protein	0.0057	0.025	0.0264
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.004	0.0095	0.0346
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0312	0.033
Trichomonas vaginalis	D-aminoacylase, putative	0.0183	0.1352	0.1371
Brugia malayi	beta-lactamase family protein	0.0183	0.1352	0.1428
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0043	0.0128	0.0069
Toxoplasma gondii	transporter, major facilitator family protein	0.0057	0.025	0.1846
Mycobacterium tuberculosis	Probable esterase LipL	0.0183	0.1352	0.1068
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0312	0.033
Entamoeba histolytica	acetyltransferase, GNAT family	0.004	0.0096	1
Echinococcus multilocularis	Solute carrier organic anion transporter family	0.0057	0.025	0.0911
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0312	0.033
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0183	0.1352	0.4934
Trichomonas vaginalis	glutaminase, putative	0.111	0.9473	1
Loa Loa (eye worm)	agrin synaptic family protein	0.0039	0.009	0.0096
Brugia malayi	Heterochromatin protein 1	0.0072	0.0375	0.0396
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0044	0.0133	0.014
Loa Loa (eye worm)	hypothetical protein	0.0183	0.1352	0.1428
Echinococcus granulosus	tar DNA binding protein	0.0064	0.0312	0.114
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.0312	0.114
Trichomonas vaginalis	D-aminoacylase, putative	0.0183	0.1352	0.1371
Loa Loa (eye worm)	hypothetical protein	0.0183	0.1352	0.1428
Schistosoma mansoni	organic anion transporter	0.0057	0.025	0.0264
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0183	0.1352	0.1068
Giardia lamblia	Histone acetyltransferase GCN5	0.004	0.0096	0.5
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0043	0.0128	0.0944
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.004	0.0095	0.0346
Mycobacterium ulcerans	beta-lactamase	0.0183	0.1352	0.113
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0039	0.009	0.0669
Loa Loa (eye worm)	intermediate filament protein	0.0082	0.0467	0.0493
Brugia malayi	RNA, U transporter 1	0.0082	0.0465	0.0491
Mycobacterium ulcerans	hypothetical protein	0.0183	0.1352	0.113
Loa Loa (eye worm)	heterochromatin protein 1	0.0072	0.0375	0.0396
Trypanosoma cruzi	hypothetical protein, conserved	0.0183	0.1352	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.025	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0183	0.1352	0.1428
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0082	0.0467	0.0493
Toxoplasma gondii	ABC1 family protein	0.0183	0.1352	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0467	0.0493
Loa Loa (eye worm)	hypothetical protein	0.0183	0.1352	0.1428
Echinococcus granulosus	chromobox protein 1	0.0072	0.0375	0.1368
Echinococcus granulosus	follistatin	0.0039	0.009	0.033
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0183	0.1352	0.1428
Schistosoma mansoni	lamin	0.0082	0.0467	0.0493
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0126	0.0068
Brugia malayi	beta-lactamase	0.0183	0.1352	0.1428
Loa Loa (eye worm)	hypothetical protein	0.0039	0.009	0.0096
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0039	0.009	0.0096
Leishmania major	hypothetical protein, conserved	0.0183	0.1352	1
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0312	0.033
Loa Loa (eye worm)	kazal-type serine protease inhibitor domain-containing protein	0.0039	0.009	0.0096
Brugia malayi	sodium-independent organic anion transporter family protein	0.0057	0.025	0.0264
Onchocerca volvulus		0.0039	0.009	0.0505
Loa Loa (eye worm)	hypothetical protein	0.004	0.0095	0.01
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0043	0.0128	0.0466
Schistosoma mansoni	hypothetical protein	0.0342	0.2741	0.2893
Loa Loa (eye worm)	hypothetical protein	0.0057	0.025	0.0264
Echinococcus multilocularis	transcription factor btf3	0.0036	0.0062	0.0228
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0148	0.104	0.3794
Echinococcus granulosus	beta LACTamase domain containing family member	0.0183	0.1352	0.4934
Onchocerca volvulus		0.0057	0.025	0.1703
Mycobacterium tuberculosis	Probable hydrolase	0.0183	0.1352	0.1068
Echinococcus granulosus	agrin	0.0039	0.009	0.033
Loa Loa (eye worm)	ICD-1 protein	0.0036	0.0062	0.0066
Trypanosoma brucei	beta lactamase	0.0065	0.0318	0.2351
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0308	0.2441	0.2577
Trypanosoma brucei	transcription factor BTF3, putative	0.0036	0.0062	0.0462
Brugia malayi	beta-lactamase family protein	0.0183	0.1352	0.1428
Loa Loa (eye worm)	glutaminase 2	0.111	0.9473	1
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0039	0.009	0.0096
Trichomonas vaginalis	chromobox protein, putative	0.0072	0.0375	0.0332
Onchocerca volvulus		0.0057	0.025	0.1703
Echinococcus multilocularis	agrin	0.0039	0.009	0.033
Loa Loa (eye worm)	hypothetical protein	0.0057	0.025	0.0264
Onchocerca volvulus		0.0057	0.025	0.1703
Mycobacterium ulcerans	esterase/lipase LipP	0.0183	0.1352	0.113
Mycobacterium tuberculosis	Conserved protein	0.0183	0.1352	0.1068
Plasmodium vivax	hypothetical protein, conserved	0.0183	0.1352	1
Onchocerca volvulus		0.0082	0.0467	0.3337
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0043	0.0128	0.0069
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.0126	0.0772
Mycobacterium tuberculosis	Conserved protein	0.0183	0.1352	0.1068
Loa Loa (eye worm)	hypothetical protein	0.0057	0.025	0.0264
Mycobacterium tuberculosis	Probable lipase LipE	0.0183	0.1352	0.1068
Trypanosoma cruzi	MFS transporter, putative	0.0057	0.025	0.1452
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0039	0.009	0.0096
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0043	0.0128	0.0944
Brugia malayi	acetyltransferase, GNAT family protein	0.0148	0.104	0.1098
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0099	0.0039
Schistosoma mansoni	intermediate filament proteins	0.0082	0.0467	0.0493
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0454	0.0479
Loa Loa (eye worm)	hypothetical protein	0.0057	0.025	0.0264
Brugia malayi	chromobox protein homolog 3	0.004	0.0099	0.0105
Plasmodium falciparum	basic transcription factor 3b, putative	0.0036	0.0062	0.6504
Loa Loa (eye worm)	hypothetical protein	0.0183	0.1352	0.1428
Mycobacterium tuberculosis	Class a beta-lactamase BlaC	0.0136	0.0936	0.0638
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0183	0.1352	0.113
Echinococcus multilocularis	lamin	0.0082	0.0467	0.1703
Trichomonas vaginalis	esterase, putative	0.0183	0.1352	0.1371
Onchocerca volvulus	Putative organic anion transporter	0.0057	0.025	0.1703
Brugia malayi	secreted modular calcium-binding protein 1	0.0039	0.009	0.0096
Echinococcus granulosus	lamin	0.0082	0.0467	0.1703
Mycobacterium tuberculosis	Conserved protein	0.0183	0.1352	0.1068
Brugia malayi	sodium-independent organic anion transporter family protein	0.0057	0.025	0.0264
Mycobacterium ulcerans	multidrugs-transport integral membrane protein Mmr-like	0.0788	0.665	0.6917
Schistosoma mansoni	organic anion transporter	0.0057	0.025	0.0264
Echinococcus multilocularis	expressed protein	0.0039	0.009	0.033
Loa Loa (eye worm)	hypothetical protein	0.0057	0.025	0.0264
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0039	0.009	0.0669
Loa Loa (eye worm)	hypothetical protein	0.004	0.0099	0.0105
Echinococcus multilocularis	geminin	0.0342	0.2741	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (ADMET)	0	Cytotoxicity against rat hepatocytes at 10 to 100 uM	ChEMBL.	18052323
IC50 (functional)	> 100 uM	Antiproliferative activity against rat HSC-T6 cells after 48 hrs by MTT assay	ChEMBL.	18052323

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 503449