TDR Targets

Basic information

Technical information

TDR Targets ID: 187748
Name: (E)-N-[1-hydroxy-3-(octylsulfanylmethylsulfin yl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyri midin-5-yl)prop-2-enamide
MW: 459.623 | Formula: C20H33N3O5S2
H donors: 4 H acceptors: 7 LogP: 3.9 Rotable bonds: 16
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCCSC[S+](CC(NC(=O)/C=C/c1c(C)nc(nc1O)O)CO)[O-]
InChi: 1S/C20H33N3O5S2/c1-3-4-5-6-7-8-11-29-14-30(28)13-16(12-24)22-18(25)10-9-17-15(2)21-20(27)23-19(17)26/h9-10,16,24H,3-8,11-14H2,1-2H3,(H,22,25)(H2,21,23,26,27)/b10-9+
InChiKey: CTSQVSMSXPYTMI-MDZDMXLPSA-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

(E)-N-[1-(hydroxymethyl)-2-(octylsulfanylmethylsulfinyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
(E)-N-[1-(hydroxymethyl)-2-[(octylthio)methylsulfinyl]ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-2-propenamide
(E)-3-(2,4-diketo-6-methyl-1H-pyrimidin-5-yl)-N-[1-methylol-2-[(octylthio)methylsulfinyl]ethyl]acrylamide
(E)-N-[1-hydroxy-3-(octylsulfanylmethylsulfinyl)propan-2-yl]-3-(4-methyl-2,6-dioxo-3H-pyrimidin-5-yl)prop-2-enamide
(E)-N-[1-(hydroxymethyl)-2-(octylsulfanylmethylsulfinyl)ethyl]-3-(4-methyl-2,6-dioxo-3H-pyrimidin-5-yl)prop-2-enamide
(E)-N-[1-(hydroxymethyl)-2-[(octylthio)methylsulfinyl]ethyl]-3-(4-methyl-2,6-dioxo-3H-pyrimidin-5-yl)prop-2-enamide

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
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0105	0.0119	0.1332
Echinococcus multilocularis		0.0226	0.0359	0.0359
Plasmodium vivax	hypothetical protein, conserved	0.0226	0.0359	1
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0086	0.0082	0.5
Loa Loa (eye worm)	hypothetical protein	0.0226	0.0359	0.0359
Echinococcus multilocularis	phosphoglycerate mutase	0.0086	0.0082	0.0082
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.0141	0.0141
Brugia malayi	MH2 domain containing protein	0.0116	0.0141	0.394
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.5108	1	1
Trypanosoma brucei	Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative	0.0086	0.0082	0.008
Mycobacterium ulcerans	dehydrogenase	0.0226	0.0359	0.0448
Plasmodium falciparum	phosphoglycerate mutase, putative	0.0086	0.0082	0.2233
Leishmania major	fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein	0.0086	0.0082	0.008
Mycobacterium ulcerans	oxidoreductase	0.0226	0.0359	0.0448
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0226	0.0359	1
Onchocerca volvulus		0.0226	0.0359	0.0279
Onchocerca volvulus		0.5108	1	1
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0226	0.0359	0.0448
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0086	0.0082	0.008
Leishmania major	hypothetical protein, unknown function	0.0086	0.0082	0.008
Mycobacterium tuberculosis	Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM)	0.0086	0.0082	0.0137
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0226	0.0359	0.0359
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.5022	0.983	0.983
Leishmania major	hypothetical protein, conserved	0.0086	0.0082	0.008
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.3015	0.5866	0.9367
Brugia malayi	Thioredoxin reductase	0.0046	0.0003	0.0083
Echinococcus multilocularis	phosphoglycerate mutase	0.0086	0.0082	0.0082
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0226	0.0359	0.0359
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0226	0.0359	1
Mycobacterium tuberculosis	PE-PGRS family protein PE_PGRS11	0.0086	0.0082	0.0137
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.5022	0.983	0.983
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0086	0.0082	0.2233
Leishmania major	glycerolphosphate mutase, putative	0.0086	0.0082	0.008
Mycobacterium tuberculosis	Glucosyl-3-phosphoglycerate phosphatase GpgP	0.0086	0.0082	0.0137
Trypanosoma brucei	phosphoglycerate mutase, putative	0.0086	0.0082	0.008
Echinococcus granulosus	phosphoglycerate mutase	0.0086	0.0082	0.0082
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0086	0.0082	0.2233
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0086	0.0082	0.008
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.218	0.4217	0.4215
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0086	0.0082	0.008
Echinococcus granulosus	phosphoglycerate mutase	0.0086	0.0082	0.0082
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0226	0.0359	1
Schistosoma mansoni	hypothetical protein	0.0086	0.0082	0.0082
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.5108	1	1
Brugia malayi	phosphoglycerate mutase family protein	0.0086	0.0082	0.2297
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0082	0.0082
Brugia malayi	glutathione reductase	0.0046	0.0003	0.0083
Schistosoma mansoni	hypothetical protein	0.0086	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.2928	0.5695	0.5695
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0226	0.0359	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0226	0.0359	0.0359
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.5022	0.983	0.983
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0105	0.0119	0.02
Leishmania major	hypothetical protein, conserved	0.0086	0.0082	0.008
Echinococcus multilocularis	phosphoglycerate mutase	0.0086	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0226	0.0359	0.0359
Brugia malayi	hypothetical protein	0.0226	0.0359	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0226	0.0359	0.0613
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0086	0.0082	0.008
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.3213	0.6257	1
Mycobacterium tuberculosis	Conserved protein	0.0086	0.0082	0.0137
Mycobacterium tuberculosis	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0086	0.0082	0.0137
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0086	0.0082	0.0082
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0117	0.0142	0.2168
Schistosoma mansoni	hypothetical protein	0.0086	0.0082	0.0082
Mycobacterium tuberculosis	Possible hydrolase MutT1	0.0086	0.0082	0.0137
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.5108	1	1
Mycobacterium tuberculosis	Possible oxidoreductase	0.0226	0.0359	0.0613
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.5108	1	1
Plasmodium falciparum	phosphoglucomutase-2	0.0086	0.0082	0.2233
Brugia malayi	UBASH3A protein homolog	0.0086	0.0082	0.2297
Toxoplasma gondii	histone lysine-specific demethylase	0.0226	0.0359	1
Leishmania major	phosphoglycerate mutase family member 5, putative	0.0086	0.0082	0.008
Loa Loa (eye worm)	hypothetical protein	0.5108	1	1
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0086	0.0082	0.008
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.0082	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0117	0.0142	0.024
Schistosoma mansoni	6-phosphofructokinase	0.5108	1	1
Brugia malayi	SWIRM domain containing protein	0.0226	0.0359	1
Schistosoma mansoni	amine oxidase	0.0226	0.0359	0.0359
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0086	0.0082	0.008
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0105	0.0119	0.02
Mycobacterium tuberculosis	Probable dehydrogenase	0.0105	0.0119	0.02
Schistosoma mansoni	hypothetical protein	0.0086	0.0082	0.0082
Echinococcus granulosus	phosphoglycerate mutase	0.0086	0.0082	0.0082
Echinococcus granulosus	phosphoglycerate mutase	0.0086	0.0082	0.0082
Schistosoma mansoni	phosphoglycerate mutase	0.0086	0.0082	0.0082
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0086	0.0082	0.0082
Mycobacterium tuberculosis	Conserved protein	0.0086	0.0082	0.0137
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0086	0.0082	0.5
Echinococcus multilocularis	phosphoglycerate mutase	0.0086	0.0082	0.0082
Giardia lamblia	Hypothetical protein	0.3015	0.5866	0.5
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0003	0.0003
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0086	0.0082	0.008
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0086	0.0082	0.5
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0226	0.0359	1
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0082	0.0082
Brugia malayi	phosphoglycerate mutase family protein	0.0086	0.0082	0.2297
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.0141	0.0141
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0086	0.0082	0.008
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0086	0.0082	0.5
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.218	0.4217	0.4215
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0086	0.0082	0.008
Leishmania major	phosphoglycerate mutase, putative	0.0086	0.0082	0.008
Mycobacterium ulcerans	monoamine oxidase	0.0226	0.0359	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0226	0.0359	0.0359
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0086	0.0082	0.008
Mycobacterium ulcerans	hypothetical protein	0.3015	0.5866	0.9367
Schistosoma mansoni	amine oxidase	0.0226	0.0359	0.0359
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0105	0.0119	0.02
Leishmania major	UDP-galactopyranose mutase	0.0226	0.0359	0.0356
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0226	0.0359	1
Giardia lamblia	Hypothetical protein	0.3015	0.5866	0.5
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0226	0.0359	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0082	0.0082
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0086	0.0082	0.008
Echinococcus multilocularis	phosphoglycerate mutase	0.0086	0.0082	0.0082
Toxoplasma gondii	phosphoglycerate mutase	0.0086	0.0082	0.2233
Treponema pallidum	phosphoglyceromutase	0.0086	0.0082	0.5
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0086	0.0082	0.5
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0226	0.0359	1
Trypanosoma brucei	phosphoglycerate mutase protein, putative	0.0086	0.0082	0.008
Plasmodium vivax	hypothetical protein, conserved	0.0226	0.0359	1
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.5022	0.983	0.983
Trypanosoma brucei	glycerolphosphate mutase, putative	0.0086	0.0082	0.008
Plasmodium vivax	phosphoglucomutase-2, putative	0.0086	0.0082	0.2233
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0003	0.0003
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0086	0.0082	0.008
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0086	0.0082	0.008
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqD	0.0086	0.0082	0.0137
Schistosoma mansoni	hypothetical protein	0.0086	0.0082	0.0082
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0086	0.0082	0.0137
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0086	0.0082	0.008
Loa Loa (eye worm)	phosphoglycerate mutase	0.0086	0.0082	0.0082
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0086	0.0082	0.008
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.5108	1	1
Schistosoma mansoni	hypothetical protein	0.0086	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0226	0.0359	0.0359
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.3213	0.6257	1
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0086	0.0082	0.008
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0082	0.0082
Mycobacterium tuberculosis	Probable reductase	0.0105	0.0119	0.02
Loa Loa (eye worm)	hypothetical protein	0.5022	0.983	0.983
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0086	0.0082	0.0082
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.2986	0.581	1
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0226	0.0359	0.0359
Toxoplasma gondii	phosphoglycerate mutase PGMII	0.0086	0.0082	0.2233
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0105	0.0119	0.02
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0117	0.0142	0.024
Loa Loa (eye worm)	hypothetical protein	0.0226	0.0359	0.0359
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0086	0.0082	0.008
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0003	0.0003
Echinococcus granulosus	phosphoglycerate mutase	0.0086	0.0082	0.0082
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0086	0.0082	0.2233
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0003	0.0003
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0226	0.0359	1
Leishmania major	phosphoglycerate mutase protein, putative	0.0086	0.0082	0.008
Plasmodium vivax	phosphoglycerate mutase, putative	0.0086	0.0082	0.2233
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0086	0.0082	0.008
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.0082	0.5
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.218	0.4217	0.4215
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0226	0.0359	0.0359
Echinococcus multilocularis	phosphoglycerate mutase	0.0086	0.0082	0.0082
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0117	0.0142	0.024
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0226	0.0359	0.0356
Leishmania major	hypothetical protein, conserved	0.0086	0.0082	0.008
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0086	0.0082	0.0082
Plasmodium falciparum	protoporphyrinogen oxidase	0.0226	0.0359	1
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.218	0.4217	0.4215
Schistosoma mansoni	phosphoglycerate mutase	0.0086	0.0082	0.0082
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0086	0.0082	0.2233
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0086	0.0082	0.008
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.3015	0.5866	1
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0226	0.0359	0.0356
Brugia malayi	amine oxidase, flavin-containing family protein	0.0226	0.0359	1

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 0 uM	Ability to inhibit the bacterial growth of E. coli (AB301) by 50% was determined	ChEMBL.	3543365
ED50 (functional)	= 0 uM	Ability to inhibit the bacterial growth of E. coli (N281) by 50% was determined	ChEMBL.	3543365
ED50 (functional)	= 0 uM	Ability to inhibit the bacterial growth of E. coli (W3110) by 50% was determined	ChEMBL.	3543365
ED50 (functional)	= 0 uM	Ability to inhibit the bacterial growth of E. coli (AB301) by 50% was determined	ChEMBL.	3543365
ED50 (functional)	= 0 uM	Ability to inhibit the bacterial growth of E. coli (N281) by 50% was determined	ChEMBL.	3543365
ED50 (functional)	= 0 uM	Ability to inhibit the bacterial growth of E. coli (W3110) by 50% was determined	ChEMBL.	3543365
ED50 (functional)	= 0.1 uM	Ability to inhibit the bacterial growth of Bacillus cereus by 50% was determined	ChEMBL.	3543365
ED50 (functional)	= 0.1 uM	Ability to inhibit the bacterial growth of Bacillus subtilis by 50% was determined	ChEMBL.	3543365
ED50 (functional)	= 0.1 uM	Ability to inhibit the bacterial growth of Corynebacterium serosas by 50% was determined	ChEMBL.	3543365
ED50 (functional)	= 0.25 uM	Ability to inhibit the peptide bond formation by puromycin reaction in E. coli was determined	ChEMBL.	3543365
ED50 (functional)	= 0.25 uM	Ability to inhibit the peptide bond formation by puromycin reaction in E. coli was determined	ChEMBL.	3543365
ED50 (functional)	= 0.7 uM	Ability to inhibit the bacterial growth of E. coli (MRE600) by 50% was determined	ChEMBL.	3543365
ED50 (functional)	= 0.7 uM	Ability to inhibit the bacterial growth of E. coli (MRE600) by 50% was determined	ChEMBL.	3543365
ED50 (functional)	= 1.2 uM	Ability to inhibit the bacterial growth of Sarcina lutea by 50% was determined	ChEMBL.	3543365
ED50 (functional)	= 1.3 uM	Ability to inhibit the phenylalanine synthesis in S. cerevisiae was determined	ChEMBL.	3543365
ED50 (functional)	= 1.3 uM	Ability to inhibit the phenylalanine synthesis in S. cerevisiae was determined	ChEMBL.	3543365
ED50 (functional)	= 1.6 uM	Ability to inhibit the phenylalanine synthesis in E. coli was determined	ChEMBL.	3543365
ED50 (functional)	= 1.6 uM	Ability to inhibit the phenylalanine synthesis in E. coli was determined	ChEMBL.	3543365
ED50 (functional)	= 60 uM	Ability to inhibit the peptide bond formation by fragment reaction in E. coli was determined	ChEMBL.	3543365
ED50 (functional)	= 60 uM	Ability to inhibit the peptide bond formation by fragment reaction in E. coli was determined	ChEMBL.	3543365
ED50 (functional)	= 300 uM	Ability to inhibit the peptide bond formation by fragment reaction in S. cerevisiae was determined	ChEMBL.	3543365
ED50 (functional)	= 300 uM	Ability to inhibit the peptide bond formation by fragment reaction in S. cerevisiae was determined	ChEMBL.	3543365
ID50 (functional)	= 0.1 uM	Ability to inhibit the colony formation of leukemia L1210 cells in agar medium (0.3%) was determined	ChEMBL.	3543365
ID50 (functional)	= 0.1 uM	Ability to inhibit the colony formation of leukemia L1210 cells in agar medium (0.3%) was determined	ChEMBL.	3543365
Inhibition (ADMET)	= 6 %	Effect of 2-propanol on inhibition of the fragment reaction in the presence of 20 uM of compound was determined	ChEMBL.	3543365
Inhibition (ADMET)	= 30 %	Effect of ethanol on inhibition of the fragment reaction in the presence of 20 uM of compound was determined	ChEMBL.	3543365
Inhibition (ADMET)	= 42 %	Effect of methanol on inhibition of the fragment reaction in the presence of 20 uM of compound was determined	ChEMBL.	3543365
Ratio (functional)	= 2.5	Ability to inhibit the bacterial growth of E. coli (MRE600) by 50% was determined.	ChEMBL.	3543365

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL115157
PubChem: 21245820

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 187748