TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 478.532 | Formula: C25H34O9
H donors: 3 H acceptors: 6 LogP: 0.61 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CC[C@H](C(=O)O[C@H]1C(=O)O[C@H]2[C@]34[C@@H]1[C@@](C)(OC3)[C@@H](O)[C@@H]([C@@H]4[C@@]1([C@@H](C2)C(=CC(=O)[C@H]1O)C)C)O)C
InChi: 1S/C25H34O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12,14-20,27-29H,6,8-9H2,1-5H3/t10-,12+,14-,15-,16-,17-,18+,19-,20+,23+,24-,25-/m1/s1
InChiKey: OKIKYYZNNZCZRX-ZPUVFWQWSA-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
Schistosoma mansoni	voltage-gated potassium channel	0.00342069	0.0142474	0.0142474
Schistosoma mansoni	hypothetical protein	0.00130722	0.00173417	0.00173417
Echinococcus multilocularis	unc 13 (munc13)	0.00130722	0.00173417	0.00173417
Brugia malayi	Protein kinase c protein 2	0.0013471	0.0019703	0.0019703
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.149147	0.877043	1
Onchocerca volvulus	Protein TFG homolog	0.00142272	0.00241799	0.743324
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.149147	0.877043	0.877043
Trichomonas vaginalis	AGC family protein kinase	0.00184886	0.00494106	0.000237243
Loa Loa (eye worm)	hypothetical protein	0.00130722	0.00173417	0.00173417
Loa Loa (eye worm)	AGC/AKT protein kinase	0.00184886	0.00494106	0.00494106
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.00184886	0.00494106	0.00494106
Schistosoma mansoni	protein kinase C mu	0.00130722	0.00173417	0.00173417
Echinococcus granulosus	Rac GTPase activating protein 1	0.00130722	0.00173417	0.00173417
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0606142	0.352871	0.349812
Echinococcus multilocularis	serine:threonine protein kinase 38	0.00184886	0.00494106	0.00494106
Loa Loa (eye worm)	zinc finger protein	0.00142272	0.00241799	0.00241799
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.00184886	0.00494106	0.00494106
Schistosoma mansoni	rac gtpase activating protein	0.00130722	0.00173417	0.00173417
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0013471	0.0019703	0.0019703
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.0606142	0.352871	0.5
Echinococcus granulosus	protein kinase c iota type	0.0172264	0.0959865	0.0959865
Echinococcus multilocularis	serine:threonine protein kinase N2	0.00184886	0.00494106	0.00494106
Loa Loa (eye worm)	hypothetical protein	0.169914	1	1
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.00130722	0.00173417	0.00173417
Echinococcus granulosus	Protein kinase C brain isozyme	0.00315608	0.0126807	0.0126807
Brugia malayi	Protein kinase domain containing protein	0.00184886	0.00494106	0.00494106
Brugia malayi	Protein kinase domain containing protein	0.00184886	0.00494106	0.00494106
Loa Loa (eye worm)	hypothetical protein	0.00130722	0.00173417	0.00173417
Echinococcus granulosus	sterol regulatory element binding protein	0.169914	1	1
Brugia malayi	diacylglycerol kinase	0.00130722	0.00173417	0.00173417
Brugia malayi	diacylglycerol kinase	0.00130722	0.00173417	0.00173417
Schistosoma mansoni	serine/threonine protein kinase	0.0013471	0.0019703	0.0019703
Schistosoma mansoni	serine/threonine protein kinase	0.00315608	0.0126807	0.0126807
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.00310262	0.0123641	0.0123641
Schistosoma mansoni	serine/threonine protein kinase	0.00184886	0.00494106	0.00494106
Entamoeba histolytica	hypothetical protein, conserved	0.00142272	0.00241799	0.213233
Schistosoma mansoni	serine/threonine protein kinase	0.00315608	0.0126807	0.0126807
Schistosoma mansoni	serine/threonine protein kinase	0.00184886	0.00494106	0.00494106
Echinococcus granulosus	protein kinase c eta type	0.00130722	0.00173417	0.00173417
Loa Loa (eye worm)	hypothetical protein	0.00142272	0.00241799	0.00241799
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.00130722	0.00173417	0.00173417
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0606142	0.352871	0.349812
Onchocerca volvulus		0.0014626	0.00265411	1
Trichomonas vaginalis	AGC family protein kinase	0.00184886	0.00494106	0.000237243
Schistosoma mansoni	unc-13 (munc13)	0.00130722	0.00173417	0.00173417
Trichomonas vaginalis	AGC family protein kinase	0.00184886	0.00494106	0.000237243
Brugia malayi	Protein kinase domain containing protein	0.0014626	0.00265411	0.00265411
Echinococcus multilocularis	Diacylglycerol kinase theta	0.00130722	0.00173417	0.00173417
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.00184886	0.00494106	0.00494106
Echinococcus granulosus	unc 13 munc13	0.00130722	0.00173417	0.00173417
Echinococcus granulosus	protein kinase c epsilon type	0.00315608	0.0126807	0.0126807
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.00284617	0.0108458	0.00616989
Schistosoma mansoni	atypical protein kinase C	0.0186491	0.10441	0.10441
Onchocerca volvulus		0.00142272	0.00241799	0.743324
Echinococcus granulosus	N chimaerin	0.00130722	0.00173417	0.00173417
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.00184886	0.00494106	0.00494106
Loa Loa (eye worm)	hypothetical protein	0.00130722	0.00173417	0.00173417
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.00184886	0.00494106	0.00494106
Toxoplasma gondii	AGC kinase	0.00184886	0.00494106	1
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.149147	0.877043	1
Echinococcus granulosus	Diacylglycerol kinase theta	0.00130722	0.00173417	0.00173417
Schistosoma mansoni	serine/threonine protein kinase	0.0013471	0.0019703	0.0019703
Loa Loa (eye worm)	hypothetical protein	0.00266282	0.00976025	0.00976025
Brugia malayi	RhoGEF domain containing protein	0.00130722	0.00173417	0.00173417
Trichomonas vaginalis	AGC family protein kinase	0.00184886	0.00494106	0.000237243
Echinococcus multilocularis	protein kinase c epsilon type	0.00315608	0.0126807	0.0126807
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.149147	0.877043	1
Brugia malayi	RhoGAP domain containing protein	0.00130722	0.00173417	0.00173417
Trichomonas vaginalis	AGC family protein kinase	0.00184886	0.00494106	0.000237243
Brugia malayi	Variant SH3 domain containing protein	0.00130722	0.00173417	0.00173417
Brugia malayi	protein kinase C3,putative	0.0154174	0.0852761	0.0852761
Trichomonas vaginalis	AGC family protein kinase	0.00184886	0.00494106	0.000237243
Trichomonas vaginalis	AGC family protein kinase	0.00184886	0.00494106	0.000237243
Loa Loa (eye worm)	hypothetical protein	0.00130722	0.00173417	0.00173417
Trichomonas vaginalis	conserved hypothetical protein	0.169914	1	1
Loa Loa (eye worm)	hypothetical protein	0.00130722	0.00173417	0.00173417
Schistosoma mansoni	diacylglycerol kinase theta	0.00130722	0.00173417	0.00173417
Brugia malayi	CHE-14 protein	0.169914	1	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.00284617	0.0108458	0.00616989
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.00310262	0.0123641	0.0123641
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.00130722	0.00173417	0.00173417
Loa Loa (eye worm)	hypothetical protein	0.00184886	0.00494106	0.00494106
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.00315608	0.0126807	0.0126807
Loa Loa (eye worm)	raf kinase	0.00130722	0.00173417	0.00173417
Echinococcus multilocularis	protein dispatched 1	0.169914	1	1
Schistosoma mansoni	vav2	0.00130722	0.00173417	0.00173417
Loa Loa (eye worm)	STE/STE11/MEKK2 protein kinase	0.0014626	0.00265411	0.00265411
Schistosoma mansoni	protein kinase C	0.00130722	0.00173417	0.00173417
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.00184886	0.00494106	0.00494106
Entamoeba histolytica	protein kinase, putative	0.00184886	0.00494106	1
Echinococcus multilocularis	Rac GTPase activating protein 1	0.00130722	0.00173417	0.00173417
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.00130722	0.00173417	0.00173417
Schistosoma mansoni	serine/threonine protein kinase	0.00315608	0.0126807	0.0126807
Echinococcus granulosus	Protein patched homolog 1	0.169914	1	1
Loa Loa (eye worm)	PAR-6 protein	0.00142272	0.00241799	0.00241799
Echinococcus multilocularis	protein kinase c iota type	0.0172264	0.0959865	0.0959865
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0606142	0.352871	0.349812
Echinococcus multilocularis	myotubularin protein 13	0.00130722	0.00173417	0.00173417
Echinococcus granulosus	NDR protein kinase	0.00184886	0.00494106	0.00494106
Schistosoma mansoni	diacylglycerol kinase theta	0.00130722	0.00173417	0.00173417
Echinococcus multilocularis	raf serine:threonine protein kinase	0.00130722	0.00173417	0.00173417
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.149147	0.877043	1
Schistosoma mansoni	cell polarity protein	0.00142272	0.00241799	0.00241799
Brugia malayi	Ras association domain family 1 isoform A	0.00130722	0.00173417	0.00173417
Echinococcus granulosus	serine:threonine protein kinase N2	0.00184886	0.00494106	0.00494106
Loa Loa (eye worm)	hypothetical protein	0.00130722	0.00173417	0.00173417
Entamoeba histolytica	protein kinase, putative	0.00184886	0.00494106	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.169914	1	1
Echinococcus multilocularis	partitioning defective protein 6	0.00142272	0.00241799	0.00241799
Schistosoma mansoni	serine/threonine kinase	0.00184886	0.00494106	0.00494106
Brugia malayi	RhoGAP domain containing protein	0.00130722	0.00173417	0.00173417
Schistosoma mansoni	serine/threonine protein kinase	0.00184886	0.00494106	0.00494106
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.149147	0.877043	0.877043
Loa Loa (eye worm)	hypothetical protein	0.00130722	0.00173417	0.00173417
Loa Loa (eye worm)	hypothetical protein	0.00130722	0.00173417	0.00173417
Echinococcus granulosus	raf serine:threonine protein kinase	0.00130722	0.00173417	0.00173417
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0013471	0.0019703	0.0019703
Echinococcus granulosus	Niemann Pick C1 protein	0.169914	1	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.00184886	0.00494106	0.00494106
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.00184886	0.00494106	0.00494106
Brugia malayi	Hr1 repeat family protein	0.00184886	0.00494106	0.00494106
Schistosoma mansoni	protein kinase C mu	0.0013471	0.0019703	0.0019703
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.169914	1	1
Loa Loa (eye worm)	hypothetical protein	0.00130722	0.00173417	0.00173417
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.00130722	0.00173417	0.00173417
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.00184886	0.00494106	0.00494106
Echinococcus multilocularis	N chimaerin	0.00130722	0.00173417	0.00173417
Echinococcus multilocularis	protein TFG	0.00142272	0.00241799	0.00241799
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.149147	0.877043	0.877043
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.00315608	0.0126807	0.0126807
Brugia malayi	p70 ribosomal S6 kinase beta	0.00184886	0.00494106	0.00494106
Brugia malayi	Hydroxymethylglutaryl-coenzyme A reductase family protein	0.149147	0.877043	0.877043
Schistosoma mansoni	patched 1	0.169914	1	1
Echinococcus multilocularis	protein kinase c eta type	0.00130722	0.00173417	0.00173417
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.00130722	0.00173417	0.00173417
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.00184886	0.00494106	0.00494106
Schistosoma mansoni	serine/threonine protein kinase	0.00184886	0.00494106	0.00494106
Echinococcus multilocularis	protein patched	0.169914	1	1
Echinococcus granulosus	protein kinase C gamma type	0.00184886	0.00494106	0.00494106
Echinococcus multilocularis	serine threonine protein kinase	0.00184886	0.00494106	0.00494106
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.00310262	0.0123641	0.0123641
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0013471	0.0019703	0.0019703
Brugia malayi	C1-like domain containing protein	0.0013471	0.0019703	0.0019703
Echinococcus multilocularis	Niemann Pick C1 protein	0.169914	1	1
Loa Loa (eye worm)	hypothetical protein	0.00130722	0.00173417	0.00173417
Brugia malayi	Protein kinase domain containing protein	0.0013471	0.0019703	0.0019703
Loa Loa (eye worm)	hypothetical protein	0.00130722	0.00173417	0.00173417
Schistosoma mansoni	unc-13 (munc13)	0.00130722	0.00173417	0.00173417
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0168401	0.0936995	0.0936995
Trypanosoma brucei	rac serine-threonine kinase, putative	0.00184886	0.00494106	0.00288475
Loa Loa (eye worm)	RasGEF domain-containing protein	0.00130722	0.00173417	0.00173417
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.00130722	0.00173417	0.00173417
Trichomonas vaginalis	AGC family protein kinase	0.00184886	0.00494106	0.000237243
Brugia malayi	Pleckstrin Homology Domain	0.00130722	0.00173417	0.00173417
Brugia malayi	protein kinase C II.	0.00315608	0.0126807	0.0126807
Entamoeba histolytica	protein kinase, putative	0.00184886	0.00494106	1
Echinococcus granulosus	protein TFG	0.00142272	0.00241799	0.00241799
Trichomonas vaginalis	AGC family protein kinase	0.00184886	0.00494106	0.000237243
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0013471	0.0019703	0.0019703
Trichomonas vaginalis	AGC family protein kinase	0.00184886	0.00494106	0.000237243
Loa Loa (eye worm)	Ras association domain family 1 isoform A	0.00130722	0.00173417	0.00173417
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.00130722	0.00173417	0.00173417
Trichomonas vaginalis	AGC family protein kinase	0.00184886	0.00494106	0.000237243
Entamoeba histolytica	protein kinase, putative	0.00184886	0.00494106	1
Loa Loa (eye worm)	hypothetical protein	0.149147	0.877043	0.877043
Schistosoma mansoni	serine/threonine protein kinase	0.00130722	0.00173417	0.00173417
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.169914	1	1
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.149147	0.877043	0.5
Loa Loa (eye worm)	AGC/PKN protein kinase	0.00184886	0.00494106	0.00494106
Brugia malayi	Protein kinase domain containing protein	0.00184886	0.00494106	0.00494106
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.00184886	0.00494106	0.00494106
Brugia malayi	Partitioning defective-6 homolog alpha	0.00142272	0.00241799	0.00241799
Schistosoma mansoni	voltage-gated potassium channel	0.00342069	0.0142474	0.0142474
Echinococcus granulosus	myotubularin protein 13	0.00130722	0.00173417	0.00173417
Loa Loa (eye worm)	hypothetical protein	0.00130722	0.00173417	0.00173417
Loa Loa (eye worm)	AGC/NDR protein kinase	0.00184886	0.00494106	0.00494106
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.00310262	0.0123641	0.0123641

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 1.5 %	Inhibition of protein synthesis in human HeLa cells assessed as translation at 2 uM by [35S]methionine metabolic labeling study	ChEMBL.	15165136
Activity (ADMET)	< 2 nM	Cytotoxicity against human THP1 cells assessed as incorporation of [3H]hypoxanthine after 48 hrs	ChEMBL.	19667291
Activity (ADMET)	< 20 nM	Cytotoxicity against human MCF7 cells assessed as incorporation of [3H]hypoxanthine after 48 hrs	ChEMBL.	19667291
EC50 (functional)	> 0.2 uM	Induction of cell differentiation in human HL60 cells assessed as superoxide anion production after 4 days by NBT reduction assay	ChEMBL.	11754601
ED50 (functional)	= 0.2 mg/kg/day	Antiplasmodial activity against Plasmodium berghei infected in ip dosed mouse	ChEMBL.	19667291
ED50 (functional)	= 3.7 mg/kg/day	Antiplasmodial activity against Plasmodium yoelii yoelii infected in po dosed rodents	ChEMBL.	19667291
ED50 (functional)	= 0.013 ug ml-1	Cytotoxicity against human HCT8 cells after 3 days by SRB assay	ChEMBL.	11141127
ED50 (functional)	= 0.014 ug ml-1	Cytotoxicity against human MCF7 cells after 3 days by SRB assay	ChEMBL.	11141127
ED50 (functional)	= 0.018 ug ml-1	Cytotoxicity against human KB cells after 3 days by SRB assay	ChEMBL.	11141127
ED50 (functional)	= 0.04 ug ml-1	Cytotoxicity against human A549 cells after 3 days by SRB assay	ChEMBL.	11141127
ED50 (functional)	= 0.13 ug ml-1	Cytotoxicity against human SK-MEL-2 cells after 3 days by SRB assay	ChEMBL.	11141127
ED50 (functional)	= 0.26 ug ml-1	Cytotoxicity against human CAKI1 cells after 3 days by SRB assay	ChEMBL.	11141127
IC50 (functional)		Antiplasmodial activity against Plasmodium falciparum F32 assessed as suppression of parasitemia after 4 hrs by Giemsa staining	ChEMBL.	19667291
IC50 (functional)		Antiplasmodial activity against Plasmodium falciparum W2 gametocytes assessed as suppression of parasitemia after 4 hrs by Giemsa staining	ChEMBL.	19667291
IC50 (functional)		Antiplasmodial activity against Plasmodium falciparum W2 assessed as suppression of parasitemia after 4 hrs by Giemsa staining	ChEMBL.	19667291
IC50 (functional)	= 1.5 ng/ml	Antimalarial activity against mefloquine-resistant Plasmodium falciparum D6 (Sierra Leone) after 24 to 60 hrs by [G-H3]hypoxanthine uptake	ChEMBL.	8289064
IC50 (functional)	= 1.6 ng/ml	Antimalarial activity against chloroquine-resistant Plasmodium falciparum Indochina W2 after 24 to 60 hrs by [G-H3]hypoxanthine uptake	ChEMBL.	8289064
IC50 (functional)	= 3 ng/ml	Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 by LDH assay	ChEMBL.	15165136
IC50 (functional)	= 3.67 ng/ml	Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 by LDH assay	ChEMBL.	15165136
IC50 (functional)	= 1 nM	Antiplasmodial activity against Plasmodium falciparum FcB1/Columbia assessed as suppression of parasitemia after 4 hrs by Giemsa staining	ChEMBL.	19667291
IC50 (functional)	= 0.0055 ug ml-1	Cytotoxicity against mouse P388 cells after 3 days by MTT assay	ChEMBL.	9644063
IC50 (ADMET)	= 0.025 ug ml-1	Cytotoxicity against human HL60 cells by XTT assay	ChEMBL.	15165136
IC50 (functional)	= 0.035 ug ml-1	Antileishmanial activity against Leishmania donovani promastigotes after 48 hrs by alamar blue assay	ChEMBL.	15165136
IC50 (functional)	= 0.047 ug ml-1	Antiamoebic activity against Entamoeba histolytica	ChEMBL.	No reference
IC50 (ADMET)	= 0.08 ug ml-1	Cytotoxicity against mouse RAW264.7 cells after 2 days by MTT assay	ChEMBL.	15165136
IC50 (functional)	= 0.28 ug ml-1	Cytotoxicity against human SK-MEL cells after 48 hrs by neutral red staining	ChEMBL.	15165136
IC50 (functional)	= 0.3 ug ml-1	Cytotoxicity against human BT549 cells after 48 hrs by neutral red staining	ChEMBL.	15165136
IC50 (functional)	= 0.3 ug ml-1	Cytotoxicity against human SKOV3 cells after 48 hrs by neutral red staining	ChEMBL.	15165136
IC50 (functional)	= 0.76 ug ml-1	Inhibition of iNOS production in LPS-activated mouse RAW264.7 cells after 20 hrs	ChEMBL.	15165136
IC50 (functional)	= 1 ug ml-1	Cytotoxicity against human KB cells after 48 hrs by neutral red staining	ChEMBL.	15165136
IC50 (binding)	> 25 ug ml-1	Inhibition of LFA1/ICAM1-mediated adhesion of HL60 cells to CHO-ICAM1 cells	ChEMBL.	15165136
IC50 (functional)	> 0.2 uM	Antiproliferative activity against human HL60 cells assessed as inhibition of [3H]thymidine incorporation after 4 days by liquid scintillation counter	ChEMBL.	11754601
IC50 (functional)	= 0.2 uM	Cytotoxicity against human HL60 cells assessed as loss of membrane integrity after 4 days by trypan blue exclusion assay	ChEMBL.	11754601
IC90 (functional)	= 0.2 ug ml-1	Antileishmanial activity against Leishmania donovani promastigotes after 48 hrs by alamar blue assay	ChEMBL.	15165136
Inhibition (functional)	= 98.5 %	Inhibition of protein synthesis in human HeLa cells at 2 uM by [35S]methionine metabolic labeling study	ChEMBL.	15165136
MIC (binding)	= 0.01 ug ml-1	Inhibition of LFA1/ICAM1-mediated HL60 cell aggregation	ChEMBL.	15165136

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference
Mus musculus	ChEMBL23	15165136
Homo sapiens	ChEMBL23	11754601
Plasmodium falciparum	ChEMBL23	15165136
Entamoeba histolytica	ChEMBL23
Leishmania donovani	ChEMBL23	15165136

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.

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External resources for this compound

ChEMBL: CHEMBL480882

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 984620