TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 396.519 | Formula: C25H32O4
H donors: 1 H acceptors: 4 LogP: 5.48 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)CCCCCC(C1=C(C)C(=O)C(=C(C1=O)C)C)c1ccc(cc1)C(C)C
InChi: 1S/C25H32O4/c1-15(2)19-11-13-20(14-12-19)21(9-7-6-8-10-22(26)27)23-18(5)24(28)16(3)17(4)25(23)29/h11-15,21H,6-10H2,1-5H3,(H,26,27)
InChiKey: FBCZUYPADSNLED-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
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0023	0.0302	0.1389
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0302	0.2133
Schistosoma mansoni	serine protease inhibitors serpins	0.0016	0.0129	0.0864
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0279	0.0269
Trypanosoma brucei	trypanothione reductase	0.0068	0.1379	1
Loa Loa (eye worm)	thioredoxin reductase	0.0068	0.1379	0.137
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0556	0.3987
Loa Loa (eye worm)	hypothetical protein	0.0134	0.299	0.2983
Schistosoma mansoni	serpin	0.0016	0.0129	0.0864
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0279	0.0152
Toxoplasma gondii	thioredoxin reductase	0.0068	0.1379	1
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0023	0.0302	0.0176
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0251	0.1757
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0118
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0021	0.0251	0.0124
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0023	0.0302	0.2133
Loa Loa (eye worm)	hypothetical protein	0.0422	1	1
Brugia malayi	Pre-SET motif family protein	0.0236	0.5481	0.5422
Giardia lamblia	Hypothetical protein	0.0422	1	1
Loa Loa (eye worm)	glutathione reductase	0.0068	0.1379	0.137
Echinococcus granulosus	bloom syndrome protein	0.0022	0.0279	0.1202
Brugia malayi	Protein kinase domain containing protein	0.0134	0.299	0.2899
Schistosoma mansoni	serine protease inhibitors serpins	0.0016	0.0129	0.0864
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0021	0.0251	0.1757
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0279	0.2024
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0023	0.0302	0.0176
Giardia lamblia	Sgs1 DNA helicase, putative	0.0022	0.0279	0.0152
Trichomonas vaginalis	set domain proteins, putative	0.0269	0.6275	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0034	0.0556	0.3419
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0023	0.0302	0.2193
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0023	0.0302	0.0455
Brugia malayi	Fibroblast growth factor family protein	0.0422	1	1
Plasmodium falciparum	glutathione reductase	0.0068	0.1379	1
Onchocerca volvulus		0.0034	0.0556	0.0695
Trichomonas vaginalis	DNA helicase recq1, putative	0.0022	0.0279	0.0046
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0556	0.3987
Entamoeba histolytica	recQ family helicase, putative	0.0022	0.0279	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0023	0.0302	0.0455
Loa Loa (eye worm)	RecQ helicase	0.0022	0.0279	0.0269
Schistosoma mansoni	ap endonuclease	0.0021	0.0251	0.1757
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0556	0.3987
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0021	0.0251	0.8998
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0023	0.0302	0.0455
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0022	0.0279	0.1202
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0023	0.0302	0.0455
Loa Loa (eye worm)	serpin	0.0016	0.0129	0.0118
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0017	0.0151	0.0022
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0023	0.0302	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0302	0.2133
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0556	0.0546
Schistosoma mansoni	ap endonuclease	0.0021	0.0251	0.1757
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0022	0.0279	0.1962
Entamoeba histolytica	serine protease inhibitor, putative	0.0016	0.0129	0.4615
Onchocerca volvulus		0.0269	0.6275	1
Schistosoma mansoni	serine protease inhibitors serpins	0.0016	0.0129	0.0864
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0118
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0023	0.0302	0.2133
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0023	0.0302	0.0455
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0302	0.2133
Trypanosoma cruzi	trypanothione reductase, putative	0.0023	0.0302	0.2133
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0017	0.0151	0.0022
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0023	0.0302	1
Plasmodium vivax	thioredoxin reductase, putative	0.0068	0.1379	1
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0011	0.0011	0.0077
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0023	0.0302	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0302	0.2133
Brugia malayi	Thioredoxin reductase	0.0068	0.1379	0.1266
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0023	0.0302	0.2133
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0023	0.0302	0.2193
Leishmania major	trypanothione reductase	0.0068	0.1379	1
Loa Loa (eye worm)	serpin protein 6	0.0016	0.0129	0.0118
Plasmodium vivax	glutathione reductase, putative	0.0068	0.1379	1
Treponema pallidum	NADH oxidase	0.0023	0.0302	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0302	0.2133
Loa Loa (eye worm)	hypothetical protein	0.0422	1	1
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0023	0.0302	0.0455
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0118
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0023	0.0302	0.1389
Mycobacterium tuberculosis	Probable oxidoreductase	0.0023	0.0302	0.0455
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0022	0.0279	0.0248
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0011	0.0077
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0023	0.0302	0.0455
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0022	0.0279	0.1202
Plasmodium falciparum	glutathione reductase	0.0023	0.0302	0.0455
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0118
Schistosoma mansoni	DNA helicase recq5	0.0022	0.0279	0.1962
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0236	0.5481	0.5476
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0068	0.1379	1
Schistosoma mansoni	DNA helicase recq1	0.0022	0.0279	0.1962
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0302	0.2133
Trichomonas vaginalis	mercuric reductase, putative	0.0023	0.0302	0.0085
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0023	0.0302	1
Schistosoma mansoni	serine protease inhibitors serpins	0.0016	0.0129	0.0864
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0022	0.0279	0.1202
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0034	0.0556	0.4034
Entamoeba histolytica	recQ family DNA helicase	0.0011	0.0011	0.0381
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0023	0.0302	0.0455
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0023	0.0302	0.0455
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0118
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0023	0.0302	0.5
Brugia malayi	Pre-SET motif family protein	0.0034	0.0556	0.0433
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0022	0.0279	0.0248
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0251	0.8241
Trichomonas vaginalis	glutathione reductase, putative	0.0023	0.0302	0.0085
Plasmodium falciparum	thioredoxin reductase	0.0068	0.1379	1
Schistosoma mansoni	serpin	0.0016	0.0129	0.0864
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0034	0.0556	0.3419
Trichomonas vaginalis	DNA helicase recq, putative	0.0022	0.0279	0.0046
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0023	0.0302	0.0455
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0279	0.2024
Loa Loa (eye worm)	serpin	0.0016	0.0129	0.0118
Schistosoma mansoni	serine protease inhibitors serpins	0.0016	0.0129	0.0864
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0118
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0023	0.0302	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0251	0.1821
Loa Loa (eye worm)	serpin	0.0016	0.0129	0.0118
Toxoplasma gondii	NADPH-glutathione reductase	0.0023	0.0302	0.2193
Toxoplasma gondii	protease inhibitor PI1	0.0016	0.0129	0.0934
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0023	0.0302	0.0455
Echinococcus multilocularis	bloom syndrome protein	0.0022	0.0279	0.1202
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0118
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0279	0.0152
Trypanosoma cruzi	trypanothione reductase, putative	0.0068	0.1379	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0034	0.0556	0.3419
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0034	0.0556	0.3987
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0251	0.0241
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0023	0.0302	0.0455
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0022	0.0279	0.0248
Brugia malayi	glutathione reductase	0.0068	0.1379	0.1266
Brugia malayi	Bloom's syndrome protein homolog	0.0022	0.0279	0.0152
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0023	0.0302	0.0455
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0022	0.0279	0.0269
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0251	0.0124
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0023	0.0302	0.5
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0022	0.0279	0.1202
Schistosoma mansoni	serine protease inhibitors serpins	0.0016	0.0129	0.0864
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0068	0.1379	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0251	0.0978
Toxoplasma gondii	serpin (serine proteinase inhibitor) superfamily protein	0.0016	0.0129	0.0934
Echinococcus granulosus	thioredoxin glutathione reductase	0.0068	0.1379	1
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0022	0.0279	0.0248
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0251	0.0978
Plasmodium vivax	SET domain protein, putative	0.0034	0.0556	0.4034
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0118
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0023	0.0302	0.2193
Plasmodium falciparum	thioredoxin reductase	0.0023	0.0302	0.0455
Trichomonas vaginalis	DNA helicase recq, putative	0.0022	0.0279	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0118
Toxoplasma gondii	exonuclease III APE	0.0021	0.0251	0.1821
Loa Loa (eye worm)	serpin	0.0016	0.0129	0.0118
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0526	0.3176
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0011	0.00000000022599

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 4 %	In vitro percent inhibition against U-44,069 (10e-7 M) induced contraction of rabbit aorta at 10e-5 M concentration.	ChEMBL.	2769691

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 115127