TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 350.322 | Formula: C20H14O6
H donors: 4 H acceptors: 6 LogP: 1.65 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: O=C1C[C@@H](O)[C@H]2c3c1c(O)ccc3c1c3[C@]2(O)C=CC(=O)c3c(cc1)O
InChi: 1S/C20H14O6/c21-10-3-1-8-9-2-4-11(22)17-12(23)5-6-20(26,18(9)17)19-14(25)7-13(24)16(10)15(8)19/h1-6,14,19,21-22,25-26H,7H2/t14-,19+,20-/m1/s1
InChiKey: MTOHOIPTYJIUCH-VOBQZIQPSA-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
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.002	0.0039	0.0018
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0302	0.3017
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0039	0.2559
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0113	0.0093
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0038	0.0152	0.0383
Leishmania major	oxidoreductase-like protein	0.0038	0.0152	0.4564
Mycobacterium tuberculosis	Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase)	0.0038	0.0152	0.0383
Mycobacterium ulcerans	oxidoreductase	0.0038	0.0152	0.0383
Schistosoma mansoni	hypothetical protein	0.0164	0.0952	1
Giardia lamblia	DINP protein human, muc B family	0.002	0.0039	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0039	0.2559
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0094	0.0507	0.5214
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0039	0.0672
Echinococcus granulosus	3 oxoacyl acyl carrier protein reductase	0.0038	0.0152	0.1401
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0286	1
Schistosoma mansoni	dihydropteridine reductase	0.0038	0.0152	0.1401
Mycobacterium ulcerans	short chain dehydrogenase	0.0038	0.0152	0.0383
Mycobacterium ulcerans	short chain dehydrogenase	0.0038	0.0152	0.0383
Echinococcus granulosus	intermediate filament protein	0.0026	0.0079	0.0623
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.002	0.0039	0.0672
Onchocerca volvulus		0.0038	0.0152	1
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0555	0.3424	1
Brugia malayi	RNA binding protein	0.0061	0.0302	0.5526
Mycobacterium tuberculosis	Conserved hypothetical protein	0.002	0.0039	0.0052
Mycobacterium ulcerans	DNA polymerase IV	0.002	0.0039	0.0052
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0039	0.2559
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0286	0.2844
Schistosoma mansoni	hypothetical protein	0.0032	0.0113	0.0991
Loa Loa (eye worm)	oxidoreductase	0.0038	0.0152	0.2752
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0038	0.0152	0.4564
Mycobacterium ulcerans	short chain dehydrogenase	0.0038	0.0152	0.0383
Schistosoma mansoni	DNA polymerase eta	0.002	0.0039	0.019
Mycobacterium leprae	POSSIBLE OXIDOREDUCTASE	0.0038	0.0152	0.0383
Echinococcus granulosus	dna polymerase eta	0.002	0.0039	0.019
Brugia malayi	Calcitonin receptor-like protein seb-1	0.01	0.0545	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0286	0.0778
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.0302	0.5526
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0555	0.3424	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.0507	0.5214
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0038	0.0152	0.0383
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0039	0.2559
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.0302	0.5526
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0039	0.2559
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0094	0.0507	0.9298
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0079	0.1415
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0555	0.3424	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0039	0.2559
Brugia malayi	intermediate filament protein	0.0026	0.0079	0.1415
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0113	0.2048
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0038	0.0152	0.0383
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0038	0.0152	0.0383
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0555	0.3424	1
Loa Loa (eye worm)	retinol dehydrogenase 12	0.0038	0.0152	0.2752
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0038	0.0152	0.2752
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.002	0.0039	0.019
Loa Loa (eye worm)	hypothetical protein	0.002	0.0039	0.0672
Schistosoma mansoni	lamin	0.0026	0.0079	0.0623
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0286	0.2844
Schistosoma mansoni	lamin	0.0026	0.0079	0.0623
Schistosoma mansoni	hypothetical protein	0.0164	0.0952	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0039	0.2559
Mycobacterium tuberculosis	Possible oxidoreductase	0.0038	0.0152	0.0383
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0302	0.3017
Echinococcus granulosus	dna polymerase kappa	0.002	0.0039	0.019
Entamoeba histolytica	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0038	0.0152	1
Trypanosoma brucei	beta-ketoacyl-ACP reductase	0.0038	0.0152	1
Echinococcus multilocularis	lamin	0.0026	0.0079	0.0058
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0286	0.0778
Echinococcus multilocularis	3 oxoacyl acyl carrier protein reductase	0.0038	0.0152	0.0131
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0113	0.2048
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0286	0.041
Schistosoma mansoni	hypothetical protein	0.0032	0.0113	0.0991
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0094	0.0507	0.0486
Trichomonas vaginalis	DNA polymerase eta, putative	0.002	0.0039	0.0052
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0094	0.0507	0.5214
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0555	0.3424	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0113	0.0093
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.0507	0.5214
Echinococcus multilocularis	geminin	0.0164	0.0952	0.0933
Schistosoma mansoni	3-oxoacyl-[ACP] reductase	0.0038	0.0152	0.1401
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.002	0.0039	0.019
Mycobacterium tuberculosis	Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase)	0.0038	0.0152	0.0383
Leishmania major	3-oxoacyl-ACP reductase, putative	0.0038	0.0152	0.4564
Loa Loa (eye worm)	hypothetical protein	0.01	0.0545	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0286	0.0778
Mycobacterium ulcerans	short chain dehydrogenase	0.0038	0.0152	0.0383
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.0302	0.0281
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0286	0.0265
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0038	0.0152	0.0383
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0038	0.0152	0.0383
Mycobacterium ulcerans	20-beta-hydroxysteroid dehydrogenase FabG3	0.0038	0.0152	0.0383
Echinococcus granulosus	lamin	0.0026	0.0079	0.0623
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0038	0.0152	0.0383
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0094	0.0507	0.0486
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0094	0.0507	0.9298
Mycobacterium ulcerans	3-oxoacyl-ACP reductase	0.0038	0.0152	0.0383
Echinococcus multilocularis	lamin dm0	0.0026	0.0079	0.0058
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0039	0.2559
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.01	0.0545	1
Trypanosoma brucei	unspecified product	0.002	0.0039	0.2559
Mycobacterium ulcerans	short chain dehydrogenase	0.0038	0.0152	0.0383
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0555	0.3424	1
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.002	0.0039	0.0052
Mycobacterium ulcerans	short chain dehydrogenase	0.0038	0.0152	0.0383
Trypanosoma brucei	DNA polymerase eta, putative	0.002	0.0039	0.2559
Mycobacterium ulcerans	DNA polymerase IV	0.002	0.0039	0.0052
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0039	0.2559
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0302	0.3017
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0152	0.2752
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0113	0.0991
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0079	0.1415
Mycobacterium ulcerans	short chain dehydrogenase	0.0038	0.0152	0.0383
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0079	0.0623
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0345	0.6319
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.0555	0.3424	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0038	0.0152	0.0383
Mycobacterium ulcerans	3-oxoacyl-ACP reductase	0.0038	0.0152	0.0383
Treponema pallidum	bacterioferrin (TpF1)	0.0017	0.0021	0.5
Loa Loa (eye worm)	RNA binding protein	0.0061	0.0302	0.5526
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.0345	0.6319
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0038	0.0152	0.0383
Trichomonas vaginalis	hypothetical protein	0.0555	0.3424	1
Echinococcus granulosus	geminin	0.0164	0.0952	1
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0038	0.0152	0.4564
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0038	0.0152	0.0383
Trypanosoma brucei	oxidoreductase-like protein	0.0038	0.0152	1
Echinococcus multilocularis	dna polymerase kappa	0.002	0.0039	0.0018
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0038	0.0152	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0038	0.0152	0.0383
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0302	0.3017
Echinococcus multilocularis	musashi	0.0026	0.0079	0.0058
Mycobacterium ulcerans	short chain dehydrogenase	0.0038	0.0152	0.0383
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0286	0.2844
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0113	0.0093
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0038	0.0152	0.0383
Trypanosoma brucei	pteridine reductase 1	0.0038	0.0152	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.002	0.0039	0.019
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0039	0.2559
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0038	0.0152	0.0383
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0038	0.0152	0.0383
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0038	0.0152	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0038	0.0152	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0113	0.2048
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0113	0.0991
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0038	0.0152	0.0383
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0038	0.0152	0.0383
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0038	0.0152	0.0383
Leishmania major	pteridine reductase 1	0.0038	0.0152	0.4564
Mycobacterium ulcerans	short chain dehydrogenase	0.0038	0.0152	0.0383
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0038	0.0152	0.0383
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.01	0.0545	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0038	0.0152	0.0383
Mycobacterium ulcerans	short chain dehydrogenase	0.0038	0.0152	0.0383
Schistosoma mansoni	hypothetical protein	0.0032	0.0113	0.0991
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.0302	0.5526
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.002	0.0039	0.0052
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0039	0.0672
Schistosoma mansoni	hypothetical protein	0.0068	0.0345	0.3479
Mycobacterium leprae	3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI	0.0038	0.0152	0.0383
Brugia malayi	TAR-binding protein	0.0061	0.0302	0.5526
Schistosoma mansoni	hypothetical protein	0.0032	0.0113	0.0991
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0039	0.2559
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0286	0.0778
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0038	0.0152	0.0383
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0039	0.2559
Echinococcus granulosus	GPCR family 2	0.0032	0.0113	0.0991
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0076	0.1359
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0555	0.3424	1
Echinococcus multilocularis	dna polymerase eta	0.002	0.0039	0.0018
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.0507	0.5214
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0038	0.0152	0.2752
Echinococcus granulosus	lamin dm0	0.0026	0.0079	0.0623
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0079	0.1415
Echinococcus granulosus	tar DNA binding protein	0.0061	0.0302	0.3017
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0038	0.0152	0.2752
Onchocerca volvulus		0.0038	0.0152	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0079	0.1415
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0039	0.2559
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0038	0.0152	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0038	0.0152	0.0383
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0113	0.2048
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0302	0.3017
Mycobacterium tuberculosis	Possible oxidoreductase	0.0038	0.0152	0.0383

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		Antifungal activity against multidrug-resistant Candida albicans by broth dilution method	ChEMBL.	19835393
Activity (functional)		Antibacterial activity against multidrug-resistant Escherichia coli by broth dilution method	ChEMBL.	19835393
IC50 (binding)	= 30 uM	Inhibition of human telomerase by TRAP assay	ChEMBL.	No reference

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: CHEMBL1081908

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 1112921