TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 470.56 | Formula: C29H30N2O4
H donors: 2 H acceptors: 3 LogP: 5.88 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCCCC(c1ccccc1)C(=O)Nc1ccc2c(c1)n(cc2)Cc1ccc(cc1OC)C(=O)O
InChi: 1S/C29H30N2O4/c1-3-4-10-25(20-8-6-5-7-9-20)28(32)30-24-14-13-21-15-16-31(26(21)18-24)19-23-12-11-22(29(33)34)17-27(23)35-2/h5-9,11-18,25H,3-4,10,19H2,1-2H3,(H,30,32)(H,33,34)
InChiKey: QNEWWKKVOHMAQO-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
Giardia lamblia	Sgs1 DNA helicase, putative	0.0022	0.0274	0.0274
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0067	0.1353	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0023	0.0297	0.2132
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0023	0.0297	0.2132
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0023	0.0297	0.2191
Loa Loa (eye worm)	hypothetical protein	0.0136	0.3015	0.3015
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0297	0.2132
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0022	0.0274	0.0248
Brugia malayi	Fibroblast growth factor family protein	0.0424	1	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0233	0.5381	0.5381
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0247	0.182
Giardia lamblia	Hypothetical protein	0.0424	1	1
Plasmodium vivax	SET domain protein, putative	0.0033	0.0546	0.4035
Plasmodium falciparum	casein kinase II beta chain	0.0033	0.0534	0.2601
Echinococcus granulosus	thioredoxin glutathione reductase	0.0067	0.1353	1
Trichomonas vaginalis	CMGC family protein kinase	0.0061	0.1201	0.1614
Loa Loa (eye worm)	hypothetical protein	0.0424	1	1
Giardia lamblia	Kinase, CMGC CK2	0.0061	0.1201	0.1201
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0033	0.0546	0.4035
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0274	0.2024
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0033	0.0534	0.0487
Schistosoma mansoni	ap endonuclease	0.0021	0.0247	0.1822
Trichomonas vaginalis	CMGC family protein kinase	0.0061	0.1201	0.1614
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.001	0.0077
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0033	0.0534	0.0487
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0023	0.0297	0.2191
Trichomonas vaginalis	set domain proteins, putative	0.0266	0.6161	1
Plasmodium falciparum	casein kinase 2, alpha subunit	0.0061	0.1201	0.8625
Trichomonas vaginalis	CMGC family protein kinase	0.0061	0.1201	0.1614
Toxoplasma gondii	casein kinase ii regulatory subunit protein	0.0033	0.0534	0.3949
Loa Loa (eye worm)	thioredoxin reductase	0.0067	0.1353	0.1353
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0274	0.2024
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0023	0.0297	0.0454
Brugia malayi	Protein kinase domain containing protein	0.0136	0.3025	0.3025
Toxoplasma gondii	CMGC kinase, CK2 family	0.0061	0.1201	0.8876
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0023	0.0297	0.0454
Toxoplasma gondii	ck2 beta subunit	0.0033	0.0534	0.3949
Echinococcus multilocularis	casein kinase ii subunit beta	0.0033	0.0534	0.3947
Plasmodium falciparum	thioredoxin reductase	0.0067	0.1353	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0033	0.0534	0.0487
Schistosoma mansoni	DNA helicase recq5	0.0022	0.0274	0.2024
Toxoplasma gondii	NADPH-glutathione reductase	0.0023	0.0297	0.2193
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0297	0.2132
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0247	0.1758
Schistosoma mansoni	serine protease inhibitors serpins	0.0011	0	0.0002
Schistosoma mansoni	serine protease inhibitors serpins	0.0011	0	0.0002
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0033	0.0534	0.0487
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0011	0.001	0.0077
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0022	0.0274	0.2022
Trichomonas vaginalis	DNA helicase recq1, putative	0.0022	0.0274	0.0046
Echinococcus granulosus	casein kinase ii subunit beta	0.0033	0.0534	0.3947
Brugia malayi	Thioredoxin reductase	0.0067	0.1353	0.1353
Loa Loa (eye worm)	hypothetical protein	0.0011	0.001	0.001
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0546	0.4035
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0546	0.4035
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0033	0.0534	0.0487
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0023	0.0297	0.0296
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0546	0.4035
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0274	0.0274
Schistosoma mansoni	ap endonuclease	0.0021	0.0247	0.1822
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0023	0.0297	1
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0023	0.0297	0.0454
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0023	0.0297	0.0454
Onchocerca volvulus		0.0266	0.6161	1
Trypanosoma brucei	Casein kinase II subunit beta, putative	0.0033	0.0534	0.2601
Trypanosoma brucei	Casein kinase II	0.0061	0.1201	0.8625
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0022	0.0274	0.1963
Plasmodium vivax	unspecified product	0.0061	0.1201	0.8876
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0067	0.1353	1
Toxoplasma gondii	thioredoxin reductase	0.0067	0.1353	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0033	0.0534	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0424	1	1
Entamoeba histolytica	recQ family helicase, putative	0.0022	0.0274	0.2281
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0033	0.0534	0.0487
Echinococcus multilocularis	casein kinase ii subunit alpha	0.0061	0.1201	0.8875
Trypanosoma brucei	trypanothione reductase	0.0067	0.1353	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0274	0.0274
Plasmodium falciparum	glutathione reductase	0.0067	0.1353	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0247	0.8246
Entamoeba histolytica	casein kinase, putative	0.0061	0.1201	1
Plasmodium vivax	casein kinase II beta chain, putative	0.0033	0.0534	0.3949
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0023	0.0297	0.0454
Toxoplasma gondii	serpin (serine proteinase inhibitor) superfamily protein	0.0011	0	0.0002
Schistosoma mansoni	serpin	0.0011	0	0.0002
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.0033	0.0534	0.3902
Leishmania major	casein kinase II, putative	0.0061	0.1201	0.8625
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0247	0.0246
Brugia malayi	Casein kinase II, alpha chain	0.0061	0.1201	0.1201
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0297	0.2132
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0033	0.0534	0.0487
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0023	0.0297	0.0454
Trichomonas vaginalis	CMGC family protein kinase	0.0061	0.1201	0.1614
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0023	0.0297	0.5
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0297	0.2132
Mycobacterium tuberculosis	Probable oxidoreductase	0.0023	0.0297	0.0454
Onchocerca volvulus		0.0033	0.0546	0.0886
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0033	0.0534	0.0487
Schistosoma mansoni	DNA helicase recq1	0.0022	0.0274	0.2024
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0023	0.0297	0.2193
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0023	0.0297	1
Schistosoma mansoni	serpin	0.0011	0	0.0002
Trichomonas vaginalis	CMGC family protein kinase	0.0061	0.1201	0.1614
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0247	0.182
Brugia malayi	glutathione reductase	0.0067	0.1353	0.1353
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0023	0.0297	0.0454
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0023	0.0297	0.0454
Schistosoma mansoni	casein kinase II beta subunit	0.0033	0.0534	0.3949
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0021	0.0247	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0546	0.0546
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0022	0.0274	0.0248
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0033	0.0534	0.4449
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0023	0.0297	0.2193
Toxoplasma gondii	protease inhibitor PI1	0.0011	0	0.0002
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0023	0.0297	1
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0033	0.0534	0.0867
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0033	0.0534	0.0487
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0023	0.0297	0.0454
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0023	0.0297	0.2193
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0247	0.1822
Echinococcus granulosus	bloom syndrome protein	0.0022	0.0274	0.2022
Echinococcus granulosus	casein kinase ii subunit alpha	0.0061	0.1201	0.8875
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0033	0.0534	0.0487
Leishmania major	protein kinase ck2 regulatory subunit, putative	0.0033	0.0534	0.2601
Plasmodium falciparum	thioredoxin reductase	0.0023	0.0297	0.0454
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0022	0.0274	0.0248
Brugia malayi	Pre-SET motif family protein	0.0033	0.0546	0.0546
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0022	0.0274	0.2022
Trichomonas vaginalis	DNA helicase recq, putative	0.0022	0.0274	0.0046
Schistosoma mansoni	blooms syndrome DNA helicase	0.0011	0.001	0.0077
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.0033	0.0534	0.3902
Schistosoma mansoni	protein kinase	0.0061	0.1201	0.8876
Schistosoma mansoni	serine protease inhibitors serpins	0.0011	0	0.0002
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0033	0.0534	0.4449
Loa Loa (eye worm)	Csnk2b protein	0.0033	0.0534	0.0534
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0033	0.0534	0.0487
Brugia malayi	Csnk2b protein	0.0033	0.0534	0.0534
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0022	0.0274	0.0274
Trichomonas vaginalis	CMGC family protein kinase	0.0061	0.1201	0.1614
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0023	0.0297	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0023	0.0297	0.0454
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0022	0.0274	0.2022
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0017	0.0148	0.0148
Plasmodium vivax	casein kinase II beta chain, putative	0.0033	0.0534	0.3949
Treponema pallidum	NADH oxidase	0.0023	0.0297	1
Plasmodium vivax	glutathione reductase, putative	0.0067	0.1353	1
Brugia malayi	Pre-SET motif family protein	0.0233	0.5381	0.5381
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0023	0.0297	0.5
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0021	0.0247	0.2052
Plasmodium falciparum	casein kinase II beta chain	0.0033	0.0534	0.2601
Entamoeba histolytica	protein kinase domain containing protein	0.0061	0.1201	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.001	0.001
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0247	0.0246
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0023	0.0297	0.0454
Loa Loa (eye worm)	glutathione reductase	0.0067	0.1353	0.1353
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0023	0.0297	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0033	0.0546	0.4035
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0033	0.0534	0.0487
Echinococcus granulosus	histone lysine methyltransferase setb	0.0033	0.0546	0.4034
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.0061	0.1201	0.8876
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0033	0.0546	0.4034
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0022	0.0274	0.2022
Brugia malayi	Bloom's syndrome protein homolog	0.0022	0.0274	0.0274
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0022	0.0274	0.0248
Trichomonas vaginalis	DNA helicase recq, putative	0.0022	0.0274	0.0046
Plasmodium falciparum	glutathione reductase	0.0023	0.0297	0.0454
Trypanosoma cruzi	casein kinase II, putative	0.0061	0.1201	0.8867
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0297	0.2132
Trichomonas vaginalis	glutathione reductase, putative	0.0023	0.0297	0.0085
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0023	0.0297	0.0454
Trypanosoma cruzi	trypanothione reductase, putative	0.0067	0.1353	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0023	0.0297	0.2132
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0274	0.0274
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0297	0.2132
Schistosoma mansoni	serine protease inhibitors serpins	0.0011	0	0.0002
Schistosoma mansoni	serine protease inhibitors serpins	0.0011	0	0.0002
Echinococcus multilocularis	bloom syndrome protein	0.0022	0.0274	0.2022
Schistosoma mansoni	serine protease inhibitors serpins	0.0011	0	0.0002
Toxoplasma gondii	exonuclease III APE	0.0021	0.0247	0.1822
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0033	0.0534	0.4449
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0033	0.0534	0.0867
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0017	0.0148	0.0148
Loa Loa (eye worm)	RecQ helicase	0.0022	0.0274	0.0274
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0023	0.0297	0.0296
Entamoeba histolytica	serine protease inhibitor, putative	0.0011	0	0.0003
Giardia lamblia	Casein kinase II beta chain	0.0033	0.0534	0.0534
Entamoeba histolytica	recQ family DNA helicase	0.0011	0.001	0.0087
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0033	0.0546	0.4034
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0021	0.0247	0.1758
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0033	0.0534	0.0487
Plasmodium vivax	thioredoxin reductase, putative	0.0067	0.1353	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0033	0.0534	0.0487
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.0061	0.1201	0.1201
Leishmania major	trypanothione reductase	0.0067	0.1353	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0032	0.0516	0.3813
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0023	0.0297	0.2193
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0023	0.0297	0.0454
Trichomonas vaginalis	mercuric reductase, putative	0.0023	0.0297	0.0085
Trichomonas vaginalis	CMGC family protein kinase	0.0061	0.1201	0.1614

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 34 %	Inhibition of the LTE4- induced contraction of guinea pig tracheal spirals at 10 uM.	ChEMBL.	2342071
Inhibition (functional)	= 34 %	Inhibition of the LTE4- induced contraction of guinea pig tracheal spirals at 10 uM.	ChEMBL.	2342071

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 73881