TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 252.265 | Formula: C16H12O3
H donors: 1 H acceptors: 2 LogP: 2.98 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(cc1)/C=C\1/COc2c(C1=O)cccc2
InChi: 1S/C16H12O3/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-9,17H,10H2/b12-9-
InChiKey: NIGIWYGQQJWVST-XFXZXTDPSA-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
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0059	0.0188	0.0189
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0124	0.0429	0.0435
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0009	0.0005	0.0004
Brugia malayi	Nuclear hormone receptor E75	0.0059	0.0188	0.0189
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0029	0.0078	0.0578
Schistosoma mansoni	hypothetical protein	0.0494	0.1781	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0722	0.6472
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0019	0.0043	0.6335
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0124	0.0429	0.2391
Toxoplasma gondii	isocitrate dehydrogenase	0.0019	0.0043	0.1863
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0124	0.0429	0.0435
Brugia malayi	tailless protein	0.0059	0.0188	0.0189
Mycobacterium ulcerans	oxidoreductase	0.0025	0.0066	0.0481
Onchocerca volvulus		0.0035	0.01	0.0096
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0312	0.1115	0.1138
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0124	0.0429	0.1196
Loa Loa (eye worm)	DR-78	0.0059	0.0188	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0188	0.0189
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0025	0.0066	0.833
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0066	0.0214	0.1181
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0124	0.0429	0.0435
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0019	0.0043	0.0363
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0027	0.0074	0.3309
Schistosoma mansoni	retinoic acid receptor RXR	0.0124	0.0429	0.2391
Mycobacterium tuberculosis	Possible oxidoreductase	0.0025	0.0066	0.0552
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0043	0.011
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0722	0.6472
Brugia malayi	nuclear receptor RXR	0.0059	0.0188	0.0189
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0029	0.0078	0.0578
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0359	0.1286	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0124	0.0429	0.1196
Echinococcus granulosus	FTZ F1 alpha	0.0124	0.0429	0.2391
Leishmania major	UDP-galactopyranose mutase	0.0025	0.0066	0.833
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0059	0.0188	0.1036
Brugia malayi	nuclear receptor NHR-88	0.0124	0.0429	0.0435
Plasmodium vivax	acyl-CoA synthetase, putative	0.0021	0.0052	0.7709
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.3557	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0025	0.0066	0.0552
Onchocerca volvulus	Bile acid receptor homolog	0.0124	0.0429	0.0425
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0025	0.0066	0.0347
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0019	0.0043	0.6335
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0124	0.0429	0.0435
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0124	0.0429	0.2391
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0124	0.0429	0.0435
Brugia malayi	nuclear hormone receptor	0.0124	0.0429	0.0435
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0048	0.0398
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0048	0.0398
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0012	0.0008
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0124	0.0429	0.2391
Onchocerca volvulus	Glucosylceramidase homolog	0.0205	0.0722	0.0718
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0059	0.0188	0.0518
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0124	0.0429	0.2391
Brugia malayi	conserved hypotetical protein	0.0059	0.0188	0.0189
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0013	0.0009
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0059	0.0188	0.1036
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0052	0.0049
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0059	0.0188	0.0518
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0124	0.0429	0.0435
Echinococcus multilocularis	cpg binding protein	0.0037	0.0108	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0052	0.0049
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.0078	0.0656
Schistosoma mansoni	nuclear receptor	0.0059	0.0188	0.1036
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0124	0.0429	0.1196
Brugia malayi	photoreceptor-specific nuclear receptor	0.0124	0.0429	0.0435
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0124	0.0429	0.1196
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0008	0.0004	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0066	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0429	0.0435
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0124	0.0429	0.0435
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0059	0.0188	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0052	0.0049
Echinococcus multilocularis	nuclear receptor nhr 48	0.0059	0.0188	0.0518
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0029	0.0078	1
Plasmodium falciparum	protoporphyrinogen oxidase	0.0025	0.0066	1
Echinococcus granulosus	dnaJ subfamily B	0.0494	0.1781	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0124	0.0429	0.1196
Entamoeba histolytica	acyl-coA synthetase, putative	0.0029	0.0078	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0124	0.0429	0.2391
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1115	1
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0078	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0429	0.0435
Leishmania major	4-coumarate:coa ligase-like protein	0.0029	0.0078	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0059	0.0188	0.1036
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1115	1
Echinococcus multilocularis	geminin	0.0205	0.0722	0.2021
Schistosoma mansoni	nuclear receptor	0.0059	0.0188	0.1036
Schistosoma mansoni	hypothetical protein	0.0205	0.0722	0.4041
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0025	0.0066	0.0347
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0019	0.0043	0.6335
Schistosoma mansoni	zinc finger protein	0.0059	0.0188	0.1036
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0059	0.0188	0.0189
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0005	0.0004
Onchocerca volvulus	Protein ultraspiracle homolog	0.0124	0.0429	0.0425
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0066	0.0214	0.0215
Echinococcus multilocularis	FTZ F1 alpha	0.0124	0.0429	0.1196
Schistosoma mansoni	hypothetical protein	0.0205	0.0722	0.4041
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0008	0.0004	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0188	0.0189
Loa Loa (eye worm)	nuclear hormone receptor	0.0059	0.0188	0.0189
Echinococcus granulosus	thyroid hormone receptor alpha	0.0059	0.0188	0.1036
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0019	0.0043	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0124	0.0429	0.0435
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0019	0.0043	0.6335
Schistosoma mansoni	RAR-like nuclear receptor	0.0124	0.0429	0.2391
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0124	0.0429	0.0435
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0124	0.0429	0.0435
Brugia malayi	Isocitrate dehydrogenase	0.0019	0.0043	0.004
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0429	0.0435
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0059	0.0188	0.0184
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0124	0.0429	0.0435
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0025	0.0066	0.0347
Brugia malayi	Nuclear hormone receptor-like 1	0.0066	0.0214	0.0215
Brugia malayi	SWIRM domain containing protein	0.0025	0.0066	0.0063
Schistosoma mansoni	nuclear hormone receptor	0.0059	0.0188	0.1036
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0124	0.0429	0.2391
Schistosoma mansoni	cpg binding protein	0.0037	0.0108	0.0582
Loa Loa (eye worm)	hypothetical protein	0.2615	0.9544	0.978
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0059	0.0188	0.1036
Brugia malayi	Nuclear hormone receptor E75	0.0059	0.0188	0.0189
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0124	0.0429	0.0435
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0005	0.0004
Echinococcus granulosus	nuclear receptor nhr 48	0.0059	0.0188	0.1036
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.01	0.0099
Echinococcus granulosus	cpg binding protein	0.0037	0.0108	0.0582
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0029	0.0078	0.0578
Schistosoma mansoni	cpg binding protein	0.0037	0.0108	0.0582
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0124	0.0429	0.0435
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0214	0.0215
Brugia malayi	CXXC zinc finger family protein	0.0035	0.01	0.0099
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0048	0.0398
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0722	0.6472
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0078	0.0578
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0019	0.0043	0.011
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0025	0.0066	0.0174
Echinococcus granulosus	ecdysone induced protein 78C	0.0124	0.0429	0.2391
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0004	0.0036
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0124	0.0429	0.0435
Onchocerca volvulus		0.0059	0.0188	0.0184
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0008	0.0004	0.0036
Brugia malayi	nuclear hormone receptor family member odr-7	0.0059	0.0188	0.0189
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.0214	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0052	0.0049
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0013	0.0024
Onchocerca volvulus		0.0025	0.0066	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0066	0.0063
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0008	0.0004	0.0036
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0078	0.0578
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.0763	0.6835
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0066	0.0214	0.1181
Brugia malayi	hypothetical protein	0.0066	0.0214	0.0215
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0722	0.6472
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0059	0.0188	0.0518
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.0763	0.6835
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0066	0.0063
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0029	0.0078	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0066	0.0214	0.1181
Brugia malayi	nuclear hormone receptor	0.2674	0.9759	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0052	0.0049
Brugia malayi	hypothetical protein	0.0025	0.0066	0.0063
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0059	0.0188	0.0518
Brugia malayi	amine oxidase, flavin-containing family protein	0.0025	0.0066	0.0063
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0004	0.0036
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0029	0.0078	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0214	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0188	0.0189
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0005	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0078	0.0076
Brugia malayi	steroid hormone receptor	0.0124	0.0429	0.0435
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0025	0.0066	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.2674	0.9759	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0124	0.0429	0.2391
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0429	0.0435
Plasmodium vivax	hypothetical protein, conserved	0.0025	0.0066	1
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0312	0.1115	0.1138
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0124	0.0429	0.2391
Brugia malayi	Steroid receptor seven-up type 2	0.0124	0.0429	0.0435
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0059	0.0188	0.0518
Onchocerca volvulus		0.0029	0.0078	0.0074
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0029	0.0078	0.0578
Mycobacterium ulcerans	dehydrogenase	0.0025	0.0066	0.0481
Schistosoma mansoni	amine oxidase	0.0025	0.0066	0.0347
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0043	0.011
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0048	0.0398
Brugia malayi	hypothetical protein	0.0059	0.0188	0.0189
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0025	0.0066	0.0347
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0722	0.6472
Trichomonas vaginalis	antibiotic synthetase, putative	0.0008	0.0004	0.0018
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0004	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0429	0.0435
Brugia malayi	Nuclear hormone receptor-like 1	0.0124	0.0429	0.0435
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0188	0.0189
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1115	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0029	0.0078	0.0656
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0004	0.0036
Onchocerca volvulus		0.0059	0.0188	0.0184
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0722	0.6472
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0214	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0429	0.0435
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0333	0.1193	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0019	0.0043	0.004
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0019	0.0043	0.5277
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0066	0.0063
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0025	0.0066	1
Brugia malayi	ecdysteroid receptor	0.0124	0.0429	0.0435
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0124	0.0429	0.0435
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0429	0.0435
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0025	0.0066	0.0174
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0124	0.0429	0.0435
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0013	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0078	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0188	0.0189
Mycobacterium ulcerans	hypothetical protein	0.0029	0.0078	0.0578
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0008	0.0004	0.0036
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0029	0.0078	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0359	0.1286	1
Onchocerca volvulus		0.0124	0.0429	0.0425
Schistosoma mansoni	nuclear hormone receptor	0.0059	0.0188	0.1036
Brugia malayi	orphan nuclear receptor NR2E1	0.0059	0.0188	0.0189
Brugia malayi	isocitrate dehydrogenase	0.0019	0.0043	0.004
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0124	0.0429	0.1196
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0214	0.0215
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0021	0.0052	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0188	0.0189
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0025	0.0066	0.0481
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0124	0.0429	0.1196
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0188	0.0189
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.0243	0.1342
Mycobacterium ulcerans	monoamine oxidase	0.0025	0.0066	0.0481
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0124	0.0429	0.2391
Brugia malayi	nuclear receptor NHR-67	0.0059	0.0188	0.0189
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0124	0.0429	0.2391
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0188	0.0189
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0009	0.0005	0.0002
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0124	0.0429	0.0435
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0124	0.0429	0.1196
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0021	0.0052	0.0371
Schistosoma mansoni	thyroid hormone receptor	0.0124	0.0429	0.2391
Echinococcus multilocularis		0.0025	0.0066	0.0174
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0059	0.0188	0.1036
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0066	0.0214	0.0591
Toxoplasma gondii	histone lysine-specific demethylase	0.0025	0.0066	0.294
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0722	0.6472
Leishmania major	4-coumarate:coa ligase-like protein	0.0029	0.0078	1
Echinococcus granulosus	geminin	0.0205	0.0722	0.4041
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0078	0.0076
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0078	0.0076
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0059	0.0188	0.1036
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0019	0.0043	0.022
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0043	0.011
Plasmodium falciparum	acyl-CoA synthetase	0.0021	0.0052	0.7709
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0188	0.0189
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0059	0.0188	0.0184
Echinococcus multilocularis	isocitrate dehydrogenase	0.0019	0.0043	0.011
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0124	0.0429	0.2391
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0025	0.0066	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1115	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0078	0.0578
Brugia malayi	nuclear receptor NHR-88	0.0059	0.0188	0.0189
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0124	0.0429	0.0435
Echinococcus multilocularis	dnaJ subfamily B	0.0494	0.1781	0.5001
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1115	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0029	0.0078	1
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0008	0.0004	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0066	0.0063
Brugia malayi	hypothetical protein	0.0059	0.0188	0.0189
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0124	0.0429	0.2391
Schistosoma mansoni	thyroid hormone receptor	0.0124	0.0429	0.2391
Brugia malayi	hypothetical protein	0.0066	0.0214	0.0215
Toxoplasma gondii	isocitrate dehydrogenase	0.0019	0.0043	0.1863
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0019	0.0043	1
Brugia malayi	ecdysone receptor	0.0059	0.0188	0.0189
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1115	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0124	0.0429	0.2391
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0008	0.0004	0.0036
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0025	0.0066	1
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0429	0.0435
Trichomonas vaginalis	antibiotic synthetase, putative	0.0008	0.0004	0.0018
Schistosoma mansoni	coup transcription factor	0.0124	0.0429	0.2391
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0124	0.0429	0.0435
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0025	0.0066	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0124	0.0429	0.2391
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0025	0.0066	1
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0188	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0188	0.0189
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0078	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0188	0.0189
Brugia malayi	Nuclear hormone receptor-like 1	0.0066	0.0214	0.0215
Schistosoma mansoni	amine oxidase	0.0025	0.0066	0.0347
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0019	0.0043	0.022
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0066	0.0063
Loa Loa (eye worm)	steroid hormone receptor	0.0124	0.0429	0.0435
Schistosoma mansoni	cpg binding protein	0.0035	0.01	0.0541
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0188	0.0189
Plasmodium vivax	hypothetical protein, conserved	0.0025	0.0066	1
Schistosoma mansoni	nuclear hormone receptor	0.0124	0.0429	0.2391
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0059	0.0188	0.1036
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0214	0.0215
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0025	0.0066	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0124	0.0429	0.0435
Brugia malayi	nuclear receptor RXR	0.0066	0.0214	0.0215

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 12.1 uM	Cytotoxicity against human WM115 cells after 46 hrs by MTT assay	ChEMBL.	23756061
IC50 (functional)	= 466.4 uM	Cytotoxicity against human NALM6 cells after 46 hrs by MTT assay	ChEMBL.	23756061

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	23756061

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: CHEMBL2402882

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1778202