TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 335.353 | Formula: C20H17NO4
H donors: 1 H acceptors: 2 LogP: 2.72 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)occ(c2=O)/C=C/C(=O)NCc1ccccc1
InChi: 1S/C20H17NO4/c1-24-16-8-9-17-18(11-16)25-13-15(20(17)23)7-10-19(22)21-12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H,21,22)/b10-7+
InChiKey: OOSDRLFFEQPPME-JXMROGBWSA-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
Loa Loa (eye worm)	steroid hormone receptor	0.0033	0.0658	0.0658
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.0071	0.0072
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0033	0.0658	0.0658
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0236	0.8762	1
Brugia malayi	bHLH-PAS transcription factor	0.0035	0.0742	0.0742
Loa Loa (eye worm)	cytochrome P450 family protein	0.0029	0.0496	0.0496
Echinococcus granulosus	intermediate filament protein	0.0026	0.0389	0.0444
Loa Loa (eye worm)	blistered cuticle protein 3	0.0051	0.1388	0.1388
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0033	0.0658	0.0658
Echinococcus multilocularis	FTZ F1 alpha	0.0033	0.0658	0.0751
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0236	0.8762	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0033	0.0658	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0099	0.3303	0.3303
Schistosoma mansoni	thyroid hormone receptor	0.0033	0.0658	0.0658
Schistosoma mansoni	ap endonuclease	0.0018	0.0071	0.0071
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0017	0.0008	0.0009
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0071	0.0071
Echinococcus granulosus	hypothetical protein	0.0236	0.8762	1
Loa Loa (eye worm)	carboxylesterase	0.0017	0.0008	0.0008
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0236	0.8762	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0236	0.8762	1
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0192	0.701	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0033	0.0658	0.0658
Echinococcus multilocularis	para nitrobenzyl esterase	0.0017	0.0008	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0035	0.0035
Brugia malayi	nuclear receptor NHR-88	0.0033	0.0658	0.0658
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0033	0.0658	0.0658
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0389	0.0389
Giardia lamblia	Aldose reductase	0.0236	0.8762	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0033	0.0658	0.0751
Trichomonas vaginalis	glutaminase, putative	0.0267	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0028	0.0028
Loa Loa (eye worm)	animal heme peroxidase	0.0051	0.1388	0.1388
Onchocerca volvulus		0.0051	0.1388	0.1584
Giardia lamblia	Aldose reductase	0.0236	0.8762	1
Echinococcus multilocularis	lamin dm0	0.0026	0.0389	0.0444
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0028	0.0028
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.1912	0.2119
Trichomonas vaginalis	aldo-keto reductase, putative	0.0236	0.8762	0.8761
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0033	0.0658	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0262	0.0262
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0262	0.0255
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0008	0.0008
Onchocerca volvulus	Peroxidasin homolog	0.0051	0.1388	0.1584
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0017	0.0035	0.0035
Plasmodium vivax	aldehyde reductase, putative	0.0192	0.701	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0236	0.8762	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0033	0.0658	0.0751
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0071	0.0063
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0236	0.8762	0.8762
Schistosoma mansoni	nuclear hormone receptor	0.0033	0.0658	0.0658
Schistosoma mansoni	aldo-keto reductase	0.0236	0.8762	0.8762
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0033	0.0658	0.0751
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0147	0.521	0.521
Echinococcus granulosus	ecdysone induced protein 78C	0.0033	0.0658	0.0751
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0262	0.0262
Mycobacterium ulcerans	putative regulatory protein	0.0035	0.0742	0.0735
Loa Loa (eye worm)	animal heme peroxidase	0.0051	0.1388	0.1388
Schistosoma mansoni	gliotactin	0.0017	0.0008	0.0008
Echinococcus granulosus	lamin dm0	0.0026	0.0389	0.0444
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0262	0.0255
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0064	0.1912	0.1912
Loa Loa (eye worm)	hypothetical protein	0.0236	0.8762	0.8762
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0236	0.8762	1
Brugia malayi	ecdysteroid receptor	0.0033	0.0658	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1388	0.1388
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0192	0.701	0.8001
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0658	0.0658
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0236	0.8762	0.8761
Trichomonas vaginalis	aldo-keto reductase, putative	0.0192	0.701	0.7008
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0033	0.0658	0.0658
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0019	0.0093	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1388	0.1388
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0236	0.8762	1
Echinococcus granulosus	acetylcholinesterase	0.0099	0.3303	0.377
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0262	0.022
Loa Loa (eye worm)	animal heme peroxidase	0.0051	0.1388	0.1388
Entamoeba histolytica	aldose reductase, putative	0.0236	0.8762	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0033	0.0658	0.0658
Trichomonas vaginalis	aldo-keto reductase, putative	0.0236	0.8762	0.8761
Schistosoma mansoni	BC026374 protein (S09 family)	0.0017	0.0008	0.0008
Trichomonas vaginalis	aldo-keto reductase, putative	0.0236	0.8762	0.8761
Loa Loa (eye worm)	hypothetical protein	0.0099	0.3303	0.3303
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0033	0.0658	0.0751
Brugia malayi	Peroxidasin	0.0051	0.1388	0.1388
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0658	0.0658
Leishmania major	prostaglandin f synthase, putative	0.0236	0.8762	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0236	0.8762	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0033	0.0658	0.0658
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0099	0.3303	0.3303
Trypanosoma brucei	aldo-keto reductase, putative	0.0236	0.8762	1
Onchocerca volvulus		0.0017	0.0008	0.0009
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0064	0.1912	0.2119
Brugia malayi	Nuclear hormone receptor-like 1	0.0033	0.0658	0.0658
Trypanosoma cruzi	cytochrome P450, putative	0.0019	0.0093	0.0026
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0071	0.0063
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0389	0.0389
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0658	0.0658
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0262	0.022
Trichomonas vaginalis	aldo-keto reductase, putative	0.0192	0.701	0.7008
Leishmania major	aldo-keto reductase-like protein	0.0236	0.8762	1
Onchocerca volvulus		0.0236	0.8762	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0262	0.0262
Onchocerca volvulus		0.0192	0.701	0.8001
Trichomonas vaginalis	aldo/keto reductase, putative	0.0236	0.8762	0.8761
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0262	0.0262
Toxoplasma gondii	aldo-keto reductase	0.0192	0.701	0.8001
Plasmodium falciparum	aldo-keto reductase, putative	0.0192	0.701	1
Schistosoma mansoni	peroxidasin	0.0051	0.1388	0.1388
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0033	0.0658	0.0751
Loa Loa (eye worm)	hypothetical protein	0.0026	0.037	0.037
Trypanosoma cruzi	cytochrome P450, putative	0.0019	0.0093	0.0026
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0033	0.0658	0.0751
Echinococcus multilocularis	aldo keto reductase	0.0236	0.8762	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0236	0.8762	0.8761
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1388	0.1388
Echinococcus granulosus	BC026374 protein S09 family	0.0017	0.0008	0.0009
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0033	0.0658	0.0658
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0236	0.8762	1
Echinococcus multilocularis	neuroligin	0.0017	0.0008	0.0009
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0236	0.8762	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0017	0.0035	0.0035
Schistosoma mansoni	thyroid hormone receptor	0.0033	0.0658	0.0658
Onchocerca volvulus		0.0017	0.0008	0.0009
Brugia malayi	Carboxylesterase family protein	0.0017	0.0008	0.0008
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.0071	0.0081
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0017	0.0008	0.0008
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0236	0.8762	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0071	0.0061
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.0071	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0033	0.0658	0.0751
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0236	0.8762	1
Brugia malayi	hypothetical protein	0.0017	0.0035	0.0035
Onchocerca volvulus	Bile acid receptor homolog	0.0033	0.0658	0.0751
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0262	0.0291
Brugia malayi	nuclear receptor RXR	0.0017	0.0035	0.0035
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0389	0.0389
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0262	0.0291
Onchocerca volvulus		0.0236	0.8762	1
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0192	0.701	0.7985
Brugia malayi	Steroid receptor seven-up type 2	0.0033	0.0658	0.0658
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0071	0.0071
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0033	0.0658	0.0751
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0033	0.0658	0.0751
Loa Loa (eye worm)	glutaminase	0.0267	1	1
Onchocerca volvulus		0.0236	0.8762	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0262	0.022
Loa Loa (eye worm)	CYP4Cod1	0.0019	0.0093	0.0093
Echinococcus multilocularis	geminin	0.0166	0.5947	0.6787
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0033	0.0658	0.0751
Schistosoma mansoni	single-minded	0.0048	0.1235	0.1235
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.1912	0.2119
Echinococcus multilocularis	carboxylesterase 5A	0.0099	0.3303	0.377
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1388	0.1388
Trichomonas vaginalis	aldo-keto reductase, putative	0.0236	0.8762	0.8761
Trypanosoma brucei	aldo/keto reductase, putative	0.0192	0.701	0.7985
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0008	0.0008
Loa Loa (eye worm)	oxidoreductase	0.0236	0.8762	0.8762
Brugia malayi	Carboxylesterase family protein	0.0017	0.0008	0.0008
Trichomonas vaginalis	aldo-keto reductase, putative	0.0236	0.8762	0.8761
Trichomonas vaginalis	aldo-keto reductase, putative	0.0236	0.8762	0.8761
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0033	0.0658	0.0751
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0192	0.701	0.8001
Echinococcus multilocularis	lamin	0.0026	0.0389	0.0444
Loa Loa (eye worm)	oxidoreductase	0.0236	0.8762	0.8762
Echinococcus granulosus	voltage gated potassium channel subunit	0.0192	0.701	0.8001
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0033	0.0658	0.0658
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0192	0.701	0.701
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0033	0.0658	0.0658
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0236	0.8762	1
Mycobacterium ulcerans	oxidoreductase	0.0236	0.8762	0.8761
Brugia malayi	hypothetical protein	0.0017	0.0035	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1388	0.1388
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0389	0.0389
Schistosoma mansoni	coup transcription factor	0.0033	0.0658	0.0658
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0236	0.8762	0.8762
Loa Loa (eye worm)	cytochrome P450 family protein	0.0019	0.0093	0.0093
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0033	0.0658	0.0751
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0236	0.8762	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0033	0.0658	0.0658
Mycobacterium leprae	Conserved hypothetical protein	0.0044	0.1089	0.0973
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0008	0.0008
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0262	0.0255
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0035	0.0035
Schistosoma mansoni	ap endonuclease	0.0018	0.0071	0.0071
Trypanosoma brucei	prostaglandin f synthase	0.0236	0.8762	1
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0064	0.1912	0.1912
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1388	0.1388
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0033	0.0658	0.0658
Onchocerca volvulus	Dual oxidase homolog	0.0051	0.1388	0.1584
Onchocerca volvulus		0.0026	0.0389	0.0444
Mycobacterium tuberculosis	Conserved protein	0.0192	0.701	0.7999
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0017	0.0035	0.004
Brugia malayi	Blistered cuticle protein 3	0.0051	0.1388	0.1388
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0658	0.0658
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0236	0.8762	1
Trypanosoma brucei	cytochrome P450, putative	0.0019	0.0093	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0658	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0028	0.0028
Trypanosoma cruzi	aldo/keto reductase, putative	0.0192	0.701	0.7985
Brugia malayi	Nuclear hormone receptor-like 1	0.0017	0.0035	0.0035
Schistosoma mansoni	acetylcholinesterase	0.0017	0.0008	0.0008
Onchocerca volvulus		0.0051	0.1388	0.1584
Trypanosoma cruzi	aldo/keto reductase, putative	0.0236	0.8762	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0033	0.0658	0.0751
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0192	0.701	0.701
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1388	0.1388
Schistosoma mansoni	aryl hydrocarbon receptor	0.0048	0.1235	0.1235
Brugia malayi	Cytochrome P450 family protein	0.0029	0.0496	0.0496
Toxoplasma gondii	aldose reductase, putative	0.0236	0.8762	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0017	0.0008	0.0009
Trichomonas vaginalis	aldo-keto reductase, putative	0.0192	0.701	0.7008
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0028	0.0028
Trichomonas vaginalis	aldo-keto reductase, putative	0.0236	0.8762	0.8761
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0017	0.0008	0.0009
Onchocerca volvulus		0.0023	0.0262	0.0299
Schistosoma mansoni	retinoic acid receptor RXR	0.0033	0.0658	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0008	0.0008
Trichomonas vaginalis	aldo-keto reductase, putative	0.0236	0.8762	0.8761
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0064	0.1912	0.1912
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0071	0.0061
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0033	0.0658	0.0658
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0236	0.8762	1
Echinococcus multilocularis	musashi	0.0026	0.0389	0.0444
Brugia malayi	PAS domain containing protein	0.0048	0.1235	0.1235
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0192	0.701	0.8001
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0008	0.0008
Echinococcus granulosus	acetylcholinesterase	0.0099	0.3303	0.377
Loa Loa (eye worm)	oxidoreductase	0.0236	0.8762	0.8762
Trichomonas vaginalis	aldo/keto reductase, putative	0.0236	0.8762	0.8761
Trichomonas vaginalis	aldo/keto reductase, putative	0.0236	0.8762	0.8761
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0236	0.8762	1
Brugia malayi	hypothetical protein	0.0017	0.0008	0.0008
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0033	0.0658	0.0658
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0236	0.8762	0.8762
Onchocerca volvulus		0.0017	0.0008	0.0009
Echinococcus granulosus	peroxidasin	0.0051	0.1388	0.1584
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0236	0.8762	0.8762
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0262	0.0262
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0071	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0033	0.0658	0.0658
Trichomonas vaginalis	conserved hypothetical protein	0.0192	0.701	0.7008
Loa Loa (eye worm)	cytochrome P450 family protein	0.0019	0.0093	0.0093
Echinococcus multilocularis	aldo keto reductase	0.0236	0.8762	1
Echinococcus granulosus	neuroligin	0.0017	0.0008	0.0009
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0033	0.0658	0.0658
Onchocerca volvulus		0.0017	0.0008	0.0009
Trypanosoma cruzi	aldo-keto reductase	0.0236	0.8762	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0071	0.0081
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0017	0.0008	0.0008
Brugia malayi	NADH-dependent xylose reductase	0.0192	0.701	0.701
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1388	0.1388
Leishmania major	cytochrome p450-like protein	0.0019	0.0093	0.0026
Onchocerca volvulus		0.0017	0.0008	0.0009
Onchocerca volvulus	Protein ultraspiracle homolog	0.0033	0.0658	0.0751
Brugia malayi	Cytochrome P450 family protein	0.0019	0.0093	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1388	0.1388
Brugia malayi	hypothetical protein	0.0159	0.5703	0.5703
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0028	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0658	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0008	0.0008
Schistosoma mansoni	potassium channel beta	0.0192	0.701	0.701
Onchocerca volvulus		0.0236	0.8762	1
Brugia malayi	hypothetical protein	0.0051	0.1388	0.1388
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0262	0.022
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0236	0.8762	1
Schistosoma mansoni	hypothetical protein	0.0166	0.5947	0.5947
Trichomonas vaginalis	aldo-keto reductase, putative	0.0236	0.8762	0.8761
Toxoplasma gondii	exonuclease III APE	0.0018	0.0071	0.0081
Schistosoma mansoni	lamin	0.0026	0.0389	0.0389
Brugia malayi	Animal haem peroxidase family protein	0.0051	0.1388	0.1388
Onchocerca volvulus		0.0051	0.1388	0.1584
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0236	0.8762	1
Onchocerca volvulus		0.0236	0.8762	1
Mycobacterium ulcerans	hypothetical protein	0.0192	0.701	0.7008
Loa Loa (eye worm)	carboxylesterase	0.0017	0.0008	0.0008
Trichomonas vaginalis	aldo-keto reductase, putative	0.0236	0.8762	0.8761
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0033	0.0658	0.0658
Brugia malayi	steroid hormone receptor	0.0033	0.0658	0.0658
Loa Loa (eye worm)	acetylcholinesterase 1	0.0099	0.3303	0.3303
Brugia malayi	Animal haem peroxidase family protein	0.0051	0.1388	0.1388
Onchocerca volvulus	Peroxidasin homolog	0.0051	0.1388	0.1584
Echinococcus granulosus	carboxylesterase 5A	0.0099	0.3303	0.377
Brugia malayi	Cytochrome P450 family protein	0.0019	0.0093	0.0093
Echinococcus multilocularis	transfer RNA-Lys	0.0035	0.0742	0.0847
Brugia malayi	intermediate filament protein	0.0026	0.0389	0.0389
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0035	0.0035
Mycobacterium ulcerans	glutaminase	0.0267	1	1
Mycobacterium leprae	Possible oxidoreductase	0.0192	0.701	0.7939
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0236	0.8762	1
Onchocerca volvulus		0.0236	0.8762	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0033	0.0658	0.0658
Echinococcus granulosus	aldo keto reductase	0.0236	0.8762	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0033	0.0658	0.0658
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0236	0.8762	1
Brugia malayi	hypoxia-induced factor 1	0.0147	0.521	0.521
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0033	0.0658	0.0658
Echinococcus multilocularis	acetylcholinesterase	0.0099	0.3303	0.377
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0192	0.701	0.7985
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0658	0.0658
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0192	0.701	0.7008
Echinococcus multilocularis	aldo keto reductase	0.0236	0.8762	1
Schistosoma mansoni	glutaminase	0.0267	1	1
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0192	0.701	0.8001
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0071	0.0081
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0192	0.701	0.7985
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0064	0.1912	0.2119
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0017	0.0008	0.0008
Trichomonas vaginalis	aldo-keto reductase, putative	0.0236	0.8762	0.8761
Echinococcus granulosus	aldehyde reductase	0.0044	0.1089	0.1243
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0236	0.8762	0.8761
Loa Loa (eye worm)	hypothetical protein	0.0159	0.5703	0.5703
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1388	0.1388
Onchocerca volvulus	Peroxidase homolog	0.0051	0.1388	0.1584
Onchocerca volvulus	Chorion peroxidase homolog	0.0051	0.1388	0.1584
Echinococcus multilocularis	transcription factor Dp 1	0.0037	0.0828	0.0945
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0028	0.0028
Plasmodium falciparum	aldehyde reductase, putative	0.0192	0.701	1
Loa Loa (eye worm)	oxidoreductase	0.0236	0.8762	0.8762
Echinococcus granulosus	aldo keto reductase	0.0236	0.8762	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0262	0.0255
Schistosoma mansoni	hypothetical protein	0.0166	0.5947	0.5947
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0236	0.8762	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0017	0.0035	0.004
Echinococcus multilocularis	aldehyde reductase	0.0044	0.1089	0.1243
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0017	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1388	0.1388
Schistosoma mansoni	aldo-keto reductase	0.0236	0.8762	0.8762
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0262	0.022
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0028	0.5
Echinococcus multilocularis	peroxidasin	0.0051	0.1388	0.1584
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0033	0.0658	0.0658
Loa Loa (eye worm)	carboxylesterase	0.0099	0.3303	0.3303
Echinococcus multilocularis	acetylcholinesterase	0.0099	0.3303	0.377
Loa Loa (eye worm)	animal heme peroxidase	0.0051	0.1388	0.1388
Brugia malayi	Carboxylesterase family protein	0.0017	0.0008	0.0008
Echinococcus multilocularis	aldo keto reductase	0.0236	0.8762	1
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.1912	0.2119
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0236	0.8762	0.8761
Schistosoma mansoni	peroxidasin	0.0051	0.1388	0.1388
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0033	0.0658	0.0751
Onchocerca volvulus		0.0033	0.0658	0.0751
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0236	0.8762	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0389	0.0389
Loa Loa (eye worm)	glutaminase 2	0.0267	1	1
Onchocerca volvulus	Peroxidase homolog	0.0051	0.1388	0.1584
Brugia malayi	Animal haem peroxidase family protein	0.0051	0.1388	0.1388
Brugia malayi	Carboxylesterase family protein	0.0099	0.3303	0.3303
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0033	0.0658	0.0658
Schistosoma mansoni	RAR-like nuclear receptor	0.0033	0.0658	0.0658
Onchocerca volvulus		0.0026	0.0389	0.0444
Schistosoma mansoni	pol-related	0.0236	0.8762	0.8762
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1388	0.1388
Entamoeba histolytica	aldose reductase, putative	0.0236	0.8762	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0033	0.0658	0.0751
Brugia malayi	Nuclear hormone receptor-like 1	0.0017	0.0035	0.0035
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0262	0.0255
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0033	0.0658	0.0751
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0035	0.0035
Brugia malayi	Carboxylesterase family protein	0.0099	0.3303	0.3303
Brugia malayi	nuclear hormone receptor	0.0033	0.0658	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1388	0.1388
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0262	0.0255
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0033	0.0658	0.0658
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.0071	0.0063
Echinococcus granulosus	geminin	0.0166	0.5947	0.6787
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0262	0.0262
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0008	0.0008
Brugia malayi	Carboxylesterase family protein	0.0017	0.0008	0.0008
Loa Loa (eye worm)	oxidoreductase	0.0236	0.8762	0.8762
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0262	0.022
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0262	0.0255
Echinococcus granulosus	FTZ F1 alpha	0.0033	0.0658	0.0751
Onchocerca volvulus		0.0035	0.0742	0.0847
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0033	0.0658	0.0658
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0033	0.0658	0.0658
Brugia malayi	photoreceptor-specific nuclear receptor	0.0033	0.0658	0.0658
Brugia malayi	Animal haem peroxidase family protein	0.0051	0.1388	0.1388
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1388	0.1388
Echinococcus granulosus	transcription factor Dp 1	0.0037	0.0828	0.0945
Echinococcus granulosus	single minded 2	0.0035	0.0742	0.0847
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0017	0.0008	0.0009
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0017	0.0035	0.0035
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0236	0.8762	1
Brugia malayi	Animal haem peroxidase family protein	0.0051	0.1388	0.1388
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0064	0.1912	0.2182
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0035	0.0035
Echinococcus granulosus	aldo keto reductase	0.0236	0.8762	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0658	0.0658
Schistosoma mansoni	lamin	0.0026	0.0389	0.0389
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0028	0.0021
Echinococcus granulosus	lamin	0.0026	0.0389	0.0444
Entamoeba histolytica	aldose reductase, putative	0.0236	0.8762	1
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0064	0.1912	0.2182
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0262	0.0255

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 11.82 uM	Growth inhibition of human A549 cells after 48 hrs by MTT assay	ChEMBL.	23353737
IC50 (functional)	= 33.39 uM	Growth inhibition of human HeLa cells after 48 hrs by MTT assay	ChEMBL.	23353737

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	23353737

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: CHEMBL2333685

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 1735336