TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 258.271 | Formula: C11H18N2O5
H donors: 4 H acceptors: 5 LogP: -1.65 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: OCC1OC(C(C1O)O)n1cnc(c1C)[C@H](O)C
InChi: 1S/C11H18N2O5/c1-5-8(6(2)15)12-4-13(5)11-10(17)9(16)7(3-14)18-11/h4,6-7,9-11,14-17H,3H2,1-2H3/t6-,7?,9?,10?,11?/m1/s1
InChiKey: VMPSPVJCVIVEIK-MUKIDPHUSA-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
Echinococcus granulosus	protein kinase C gamma type	0.0072	0.0476	0.0474
Echinococcus granulosus	heat shock protein 90	0.1121	1	1
Schistosoma mansoni	hypothetical protein	0.0095	0.0684	0.0684
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0023	0.003	0.0028
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.003	0.0028
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.0257	0.2155	0.2154
Echinococcus granulosus	endoplasmin	0.0872	0.7734	0.7733
Leishmania major	heat shock protein 83-1	0.1121	1	1
Plasmodium falciparum	heat shock protein 90	0.1121	1	1
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.0257	0.2155	0.2154
Brugia malayi	GH02984p	0.0359	0.3082	0.3081
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0248	0.0247
Echinococcus granulosus	heat shock protein	0.1121	1	1
Brugia malayi	Protein kinase c protein 2	0.0066	0.0419	0.0417
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0257	0.2155	0.2154
Trichomonas vaginalis	heat shock protein, putative	0.0864	0.7664	0.7663
Echinococcus granulosus	heat shock protein 90	0.0864	0.7664	0.7663
Echinococcus multilocularis	protein patched	0.0043	0.0208	0.0206
Schistosoma mansoni	hypothetical protein	0.0175	0.141	0.141
Trypanosoma cruzi	pyruvate dehydrogenase (lipoamide) kinase, putative	0.0292	0.2469	0.2467
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0023	0.003	0.0028
Echinococcus granulosus	sodium:myo inositol cotransporter	0.004	0.0179	0.0177
Entamoeba histolytica	DNA topoisomerase II, putative	0.0257	0.2155	0.2154
Trypanosoma brucei	DNA topoisomerase ii	0.0257	0.2155	0.2154
Chlamydia trachomatis	DNA gyrase subunit B	0.0257	0.2155	1
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0257	0.2155	0.2154
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0287	0.0285
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0248	0.0248
Trypanosoma cruzi	heat shock protein 90, putative	0.067	0.5904	0.5903
Trichomonas vaginalis	heat shock protein, putative	0.0451	0.3915	0.3914
Echinococcus multilocularis	heat shock protein	0.1121	1	1
Toxoplasma gondii	pyruvate dehydrogenase kinase, putative	0.0292	0.2469	0.2467
Echinococcus granulosus	muscleblind protein	0.0151	0.1192	0.1191
Schistosoma mansoni	serine/threonine protein kinase	0.0041	0.0193	0.0193
Toxoplasma gondii	heat shock protein 90, putative	0.1121	1	1
Trichomonas vaginalis	sensor histidine kinase, putative	0.0257	0.2155	0.2154
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0023	0.003	0.0028
Leishmania major	heat shock protein 83-1	0.1121	1	1
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0023	0.003	0.0028
Schistosoma mansoni	DNA topoisomerase II	0.0257	0.2155	0.2155
Schistosoma mansoni	serine/threonine protein kinase	0.0023	0.003	0.003
Loa Loa (eye worm)	heat shock protein 75	0.0504	0.4392	0.4391
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0208	0.0206
Echinococcus multilocularis	sodium coupled monocarboxylate transporter 1	0.004	0.0179	0.0177
Entamoeba histolytica	hypothetical protein	0.0036	0.015	0.0148
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0864	0.7664	0.7663
Schistosoma mansoni	serine/threonine protein kinase	0.0023	0.003	0.003
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0504	0.4392	1
Brugia malayi	Hr1 repeat family protein	0.0023	0.003	0.0028
Mycobacterium ulcerans	two component sensor kinase MprB	0.0257	0.2155	0.2785
Brugia malayi	protein kinase C II.	0.0041	0.0193	0.0191
Echinococcus multilocularis	survival motor neuron protein 1	0.0239	0.1993	0.1991
Echinococcus granulosus	solute carrier family 5	0.004	0.0179	0.0177
Leishmania major	heat shock protein 83-1	0.1121	1	1
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0023	0.0025	0.0023
Trichomonas vaginalis	receptor histidine kinase, putative	0.0257	0.2155	0.2154
Brugia malayi	Protein kinase domain containing protein	0.0023	0.003	0.0028
Echinococcus multilocularis	heat shock protein 90	0.1121	1	1
Schistosoma mansoni	hypothetical protein	0.0095	0.0684	0.0684
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0041	0.0193	0.0191
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0023	0.003	0.0028
Schistosoma mansoni	inositol transporter	0.004	0.0179	0.0179
Wolbachia endosymbiont of Brugia malayi	DNA gyrase, topoisomerase II, B subunit, GyrB	0.0257	0.2155	0.2785
Loa Loa (eye worm)	hypothetical protein	0.0257	0.2155	0.2154
Brugia malayi	Muscleblind-like protein	0.0151	0.1192	0.1191
Trypanosoma brucei	heat shock protein, putative	0.1121	1	1
Entamoeba histolytica	hypothetical protein	0.0036	0.015	0.0148
Trypanosoma cruzi	Heat shock protein 83, putative	0.1121	1	1
Echinococcus granulosus	Pyruvate dehydrogenase lipoamide kinase	0.1046	0.9313	0.9313
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0287	0.0285
Echinococcus granulosus	sodium coupled monocarboxylate transporter 1	0.004	0.0179	0.0177
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0872	0.7734	0.7111
Leishmania major	heat shock protein 83-1	0.1121	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.003	0.0028
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0095	0.0684	0.0684
Brugia malayi	Probable DNA topoisomerase II	0.0257	0.2155	0.2154
Toxoplasma gondii	AGC kinase	0.0023	0.003	0.0028
Echinococcus granulosus	Niemann Pick C1 protein	0.01	0.0724	0.0722
Mycobacterium ulcerans	DNA gyrase subunit B	0.0257	0.2155	0.2785
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0549	0.4805	0.4804
Trypanosoma brucei	Heat shock protein 83, putative	0.1121	1	1
Mycobacterium ulcerans	two component sensor histidine kinase TrcS	0.0257	0.2155	0.2785
Entamoeba histolytica	heat shock protein 90, putative	0.1121	1	1
Echinococcus multilocularis	serine threonine protein kinase	0.0072	0.0476	0.0474
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0248	0.0248
Plasmodium vivax	DNA gyrase subunit B, putative	0.0257	0.2155	0.2154
Leishmania major	heat shock protein 83-1	0.1121	1	1
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.01	0.0724	0.0722
Echinococcus multilocularis	RNA directed DNA polymerase	0.0048	0.0251	0.025
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0023	0.003	0.0028
Brugia malayi	hypothetical protein	0.0239	0.1993	0.1991
Plasmodium falciparum	heat shock protein 90, putative	0.0459	0.3984	0.3983
Entamoeba histolytica	90 kDa heat shock protein, putative	0.0459	0.3984	0.3983
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0095	0.0684	0.0682
Leishmania major	heat shock protein 83-1	0.1121	1	1
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1333	0.1331
Echinococcus granulosus	protein kinase c iota type	0.004	0.0179	0.0177
Entamoeba histolytica	protein kinase, putative	0.0023	0.003	0.0028
Leishmania major	heat shock protein 83-1	0.1121	1	1
Mycobacterium ulcerans	two component sensory transduction histidine kinase MtrB	0.0257	0.2155	0.2785
Plasmodium falciparum	DNA topoisomerase 2	0.0257	0.2155	0.2154
Mycobacterium ulcerans	two component system membrane associated sensor kinase	0.0257	0.2155	0.2785
Chlamydia trachomatis	DNA gyrase subunit B	0.0257	0.2155	1
Schistosoma mansoni	atypical protein kinase C	0.004	0.0179	0.0179
Entamoeba histolytica	hypothetical protein	0.0036	0.015	0.0148
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0095	0.0684	0.0682
Leishmania major	heat shock protein 83-1	0.1121	1	1
Entamoeba histolytica	heat shock protein 90, putative	0.1121	1	1
Toxoplasma gondii	heat shock protein 75, putative	0.0504	0.4392	0.4391
Echinococcus multilocularis	endoplasmin	0.0872	0.7734	0.7733
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0504	0.4392	0.4391
Schistosoma mansoni	high-affinity choline transporter	0.0359	0.3082	0.3082
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0248	0.0247
Schistosoma mansoni	hypothetical protein	0.0095	0.0684	0.0684
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.0257	0.2155	0.2154
Mycobacterium ulcerans	two component sensor histidine kinase DevS	0.0257	0.2155	0.2785
Brugia malayi	kinase, mitochondrial precursor	0.1046	0.9313	0.9313
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0023	0.003	0.0028
Trypanosoma brucei	heat shock protein 90, putative	0.1121	1	1
Mycobacterium ulcerans	putative regultory protein	0.0257	0.2155	0.2785
Trypanosoma brucei	heat shock protein, putative	0.1121	1	1
Echinococcus granulosus	RNA directed DNA polymerase	0.0048	0.0251	0.025
Trichomonas vaginalis	sensory transduction histidine kinase, putative	0.0257	0.2155	0.2154
Echinococcus granulosus	replication factor c subunit 1	0.002	0.0002	0.00000025563
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.0257	0.2155	0.2154
Brugia malayi	CHE-14 protein	0.0043	0.0208	0.0206
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0023	0.003	0.0028
Loa Loa (eye worm)	hypothetical protein	0.019	0.1543	0.1542
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0257	0.2155	0.2154
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.004	0.0179	0.0177
Schistosoma mansoni	topbp1	0.002	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0183	0.1482	0.148
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.0095	0.0684	0.0682
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0139	0.0137
Onchocerca volvulus	Putative DNA topoisomerase 2, mitochondrial	0.0257	0.2155	0.4905
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0257	0.2155	0.2154
Echinococcus multilocularis	heat shock protein 90	0.0864	0.7664	0.7663
Loa Loa (eye worm)	endoplasmin	0.1121	1	1
Loa Loa (eye worm)	hypothetical protein	0.0257	0.2155	0.2154
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0248	0.0248
Schistosoma mansoni	hypothetical protein	0.0175	0.141	0.141
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.004	0.0179	0.0177
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0257	0.2155	0.4905
Mycobacterium ulcerans	two component regulator - sensor kinase	0.0257	0.2155	0.2785
Echinococcus multilocularis	high affinity choline transporter 1	0.0359	0.3082	0.3081
Trichomonas vaginalis	heat shock protein, putative	0.1121	1	1
Plasmodium vivax	DNA topoisomerase II, putative	0.0257	0.2155	0.2154
Trypanosoma cruzi	heat shock protein 85, putative	0.0864	0.7664	0.7663
Leishmania major	heat shock protein 83-1	0.1121	1	1
Brugia malayi	Protein kinase domain containing protein	0.0023	0.003	0.0028
Schistosoma mansoni	endoplasmin	0.1121	1	1
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1333	0.1331
Schistosoma mansoni	endoplasmin	0.1121	1	1
Mycobacterium ulcerans	two component system response phosphate sensor kinase, PhoR	0.0257	0.2155	0.2785
Plasmodium vivax	heat shock protein 86, putative	0.1121	1	1
Mycobacterium ulcerans	sensor kinase from two component regulatory system	0.0257	0.2155	0.2785
Echinococcus granulosus	sodium:glucose cotransporter	0.004	0.0179	0.0177
Echinococcus multilocularis	protein dispatched 1	0.0049	0.0262	0.026
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0504	0.4392	0.4391
Echinococcus granulosus	serine:threonine protein kinase N2	0.0023	0.003	0.0028
Leishmania major	heat shock protein 83-1	0.1121	1	1
Mycobacterium leprae	Probable two component sensor kinase MprB	0.0257	0.2155	0.2785
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1192	0.1191
Toxoplasma gondii	transporter, solute:sodium symporter (SSS) family protein	0.004	0.0179	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1333	0.1331
Trypanosoma cruzi	heat shock protein 85, putative	0.1121	1	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0864	0.7664	0.7663
Echinococcus granulosus	survival motor neuron protein 1	0.0239	0.1993	0.1991
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.1046	0.9313	0.9313
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0023	0.003	0.0028
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0095	0.0684	0.0682
Mycobacterium leprae	TWO COMPONENT SENSOR HISTIDINE KINASE PRRB	0.0257	0.2155	0.2785
Loa Loa (eye worm)	hypothetical protein	0.01	0.0724	0.0722
Trypanosoma brucei	heat shock protein 84, putative	0.0504	0.4392	0.4391
Trypanosoma brucei	heat shock protein, putative	0.1121	1	1
Plasmodium vivax	heat shock protein 90, putative	0.0504	0.4392	0.4391
Schistosoma mansoni	serine/threonine protein kinase	0.0089	0.0625	0.0625
Leishmania major	heat shock protein 83-1	0.1121	1	1
Schistosoma mansoni	hypothetical protein	0.0036	0.015	0.015
Onchocerca volvulus		0.0049	0.0263	0.0593
Loa Loa (eye worm)	hypothetical protein	0.0239	0.1993	0.1991
Echinococcus multilocularis	Niemann Pick C1 protein	0.01	0.0724	0.0722
Mycobacterium ulcerans	heat shock protein 90	0.0872	0.7734	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0821	0.7274	0.7274
Echinococcus granulosus	expressed conserved protein	0.0094	0.0669	0.0667
Trichomonas vaginalis	DNA topoisomerase II, putative	0.0257	0.2155	0.2154
Mycobacterium ulcerans	two component sensor histidine kinase PrrB	0.0257	0.2155	0.2785
Plasmodium falciparum	DNA topoisomerase VI, b subunit, putative	0.0257	0.2155	0.2154
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.0257	0.2155	0.2154
Echinococcus multilocularis	protein kinase c epsilon type	0.0041	0.0193	0.0191
Schistosoma mansoni	hypothetical protein	0.0035	0.0139	0.0139
Echinococcus granulosus	sterol regulatory element binding protein	0.0043	0.0208	0.0206
Echinococcus multilocularis	muscleblind protein	0.0151	0.1192	0.1191
Echinococcus granulosus	geminin	0.0175	0.141	0.1408
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0257	0.2155	0.2154
Leishmania major	pyruvate dehydrogenase (lipoamide) kinase, putative	0.0292	0.2469	0.04
Leishmania major	heat shock protein 83-1	0.1121	1	1
Echinococcus granulosus	protein kinase c epsilon type	0.0041	0.0193	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0684	0.0682
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.015	0.0148
Schistosoma mansoni	hypothetical protein	0.0041	0.0193	0.0193
Plasmodium falciparum	endoplasmin, putative	0.0708	0.6251	0.625
Echinococcus multilocularis	microtubule associated protein 2	0.0713	0.6297	0.6296
Plasmodium falciparum	DNA gyrase subunit B	0.0257	0.2155	0.2154
Schistosoma mansoni	DNA ligase IV	0.002	0.0002	0.0002
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.015	0.015
Wolbachia endosymbiont of Brugia malayi	membrane associated signal transduction histidine kinase	0.0257	0.2155	0.2785
Toxoplasma gondii	heat shock protein HSP90	0.1121	1	1
Schistosoma mansoni	pyruvate dehydrogenase	0.0788	0.6977	0.6977
Echinococcus multilocularis	Niemann Pick C1 protein	0.0142	0.1113	0.1111
Plasmodium vivax	heat shock protein, putative	0.0459	0.3984	0.3983
Mycobacterium ulcerans	two component sensor histidine kinase SenX3	0.0257	0.2155	0.2785
Echinococcus multilocularis	muscleblind protein 1	0.0151	0.1192	0.1191
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0248	0.0247
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.002	0.0002	0.00000025563
Trypanosoma brucei	heat shock protein, putative	0.1121	1	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.01	0.0724	0.0722
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.003	0.0028
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0023	0.003	0.0028
Schistosoma mansoni	serine/threonine protein kinase	0.0089	0.0625	0.0625
Trypanosoma brucei	heat shock protein, putative	0.1121	1	1
Trypanosoma brucei	heat shock protein, putative	0.1121	1	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0287	0.0285
Leishmania major	heat shock protein 83-1	0.1121	1	1
Schistosoma mansoni	pyruvate dehydrogenase	0.1046	0.9313	0.9313
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0872	0.7734	1
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0023	0.003	0.0028
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0287	0.0285
Trypanosoma cruzi	developmentally regulated phosphoprotein, putative	0.1046	0.9313	0.9313
Schistosoma mansoni	hypothetical protein	0.0049	0.0263	0.0263
Schistosoma mansoni	apoptosis regulator bax	0.0095	0.0684	0.0684
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0257	0.2155	1
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0208	0.0206
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0257	0.2155	0.2154
Echinococcus granulosus	sodium:glucose cotransporter 2	0.004	0.0179	0.0177
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.003	0.0028
Schistosoma mansoni	patched 1	0.0043	0.0208	0.0208
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0248	0.0247
Trypanosoma brucei	heat shock protein, putative	0.1121	1	1
Echinococcus granulosus	high affinity choline transporter 1	0.0359	0.3082	0.3081
Onchocerca volvulus		0.0167	0.1333	0.3031
Giardia lamblia	Grp94/Hsp90	0.0872	0.7734	0.7733
Brugia malayi	Protein kinase domain containing protein	0.0023	0.003	0.0028
Schistosoma mansoni	hypothetical protein	0.0041	0.0193	0.0193
Schistosoma mansoni	topbp1	0.002	0.0002	0.0002
Trypanosoma cruzi	heat shock protein 85, putative	0.1121	1	1
Trypanosoma brucei	heat shock protein, putative	0.1121	1	1
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0023	0.003	0.0028
Trypanosoma brucei	developmentally regulated phosphoprotein	0.1046	0.9313	0.9313
Leishmania major	heat shock protein, putative	0.0504	0.4392	0.2851
Toxoplasma gondii	DNA topoisomerase 2, putative	0.0257	0.2155	0.2154
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0089	0.0625	0.0623
Brugia malayi	heat shock protein 90	0.1121	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0248	0.0247
Schistosoma mansoni	serine/threonine kinase	0.0023	0.003	0.003
Leishmania major	heat shock protein 83-1	0.1121	1	1
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.1046	0.9313	0.9313
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0401	0.0399
Schistosoma mansoni	serine/threonine protein kinase	0.0023	0.003	0.003
Echinococcus multilocularis	expressed conserved protein	0.0094	0.0669	0.0667
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0023	0.003	0.0028
Trichomonas vaginalis	two component sensor and regulator histidine kinase bacteria, putative	0.0257	0.2155	0.2154
Schistosoma mansoni	survival motor neuron protein	0.0049	0.0263	0.0263
Trypanosoma cruzi	heat shock protein, putative	0.0504	0.4392	0.4391
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0023	0.003	0.0028
Schistosoma mansoni	pyruvate dehydrogenase	0.0788	0.6977	0.6977
Echinococcus multilocularis	geminin	0.0175	0.141	0.1408
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.003	0.0028
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.002	0.0002	0.00000025563
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0023	0.003	0.0028
Echinococcus multilocularis	sterol regulatory element binding protein	0.0043	0.0208	0.0206
Schistosoma mansoni	microtubule-associated protein tau	0.0713	0.6297	0.6297
Leishmania major	heat shock protein 83-1	0.1121	1	1
Echinococcus multilocularis	protein kinase c iota type	0.004	0.0179	0.0177
Trichomonas vaginalis	heat shock protein, putative	0.0872	0.7734	0.7733
Treponema pallidum	chemotaxis histidine kinase (cheA)	0.0257	0.2155	0.2785
Loa Loa (eye worm)	apoptosis regulator protein	0.0095	0.0684	0.0682
Leishmania major	heat shock protein 83-1	0.1121	1	1
Loa Loa (eye worm)	TOPoisomerase family member	0.0257	0.2155	0.2154
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.003	0.0028
Schistosoma mansoni	serine/threonine protein kinase	0.0023	0.003	0.003
Loa Loa (eye worm)	heat shock protein 90	0.1121	1	1
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0257	0.2155	0.2154
Echinococcus granulosus	microtubule associated protein 2	0.0713	0.6297	0.6296
Leishmania major	heat shock protein 83-1	0.1121	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0139	0.0137
Echinococcus granulosus	Protein patched homolog 1	0.0043	0.0208	0.0206
Trichomonas vaginalis	heat shock protein, putative	0.0872	0.7734	0.7733
Plasmodium vivax	endoplasmin, putative	0.1121	1	1
Echinococcus multilocularis	replication factor c subunit 1	0.002	0.0002	0.00000025563
Echinococcus granulosus	Protein kinase C brain isozyme	0.0089	0.0625	0.0623
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0048	0.0251	0.025
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0257	0.2155	0.2154
Entamoeba histolytica	hypothetical protein	0.0036	0.015	0.0148
Echinococcus granulosus	NDR protein kinase	0.0023	0.003	0.0028
Wolbachia endosymbiont of Brugia malayi	signal transduction histidine kinase and receiver	0.0257	0.2155	0.2785
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.003	0.0028
Brugia malayi	p70 ribosomal S6 kinase beta	0.0023	0.003	0.0028
Entamoeba histolytica	protein kinase, putative	0.0023	0.003	0.0028
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.0257	0.2155	0.2154
Giardia lamblia	Pms1-like protein	0.0257	0.2155	0.2154
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.003	0.0028
Schistosoma mansoni	heat shock protein	0.1121	1	1
Schistosoma mansoni	heat shock protein	0.0504	0.4392	0.4392
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0251	0.025
Onchocerca volvulus		0.004	0.0179	0.0403
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.003	0.0028
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0872	0.7734	1
Toxoplasma gondii	ATPase, AAA family protein	0.002	0.0002	0.00000025563
Schistosoma mansoni	heat shock protein	0.1121	1	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.015	0.0148
Brugia malayi	Sodium:solute symporter family protein	0.004	0.0179	0.0177
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.0263	0.0261
Schistosoma mansoni	sodium/solute symporter	0.004	0.0179	0.0179
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.002	0.0002	0.00000025563
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0295	0.0293
Mycobacterium leprae	PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3	0.0257	0.2155	0.2785
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0257	0.2155	0.4905
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0101	0.0738	0.0738
Brugia malayi	hypothetical protein	0.0036	0.015	0.0148
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.003	0.0028
Schistosoma mansoni	inositol transporter	0.004	0.0179	0.0179
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0023	0.003	0.0028
Trypanosoma cruzi	heat shock protein 85, putative	0.1121	1	1
Trichomonas vaginalis	receptor histidine kinase, putative	0.0257	0.2155	0.2154
Trypanosoma cruzi	Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative	0.0257	0.2155	0.2154
Treponema pallidum	heat shock protein 90	0.0872	0.7734	1
Leishmania major	developmentally regulated phosphoprotein-like protein	0.1046	0.9313	0.9124
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0043	0.0208	0.0206
Mycobacterium leprae	Probable two-component sensor kinase	0.0257	0.2155	0.2785
Trypanosoma cruzi	heat shock protein 90, putative	0.1121	1	1
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.005	0.027	0.0268
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0864	0.7664	0.7663
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0248	0.0247
Schistosoma mansoni	chromosome transmission fidelity factor	0.002	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.004	0.0179	0.0177
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0023	0.003	0.0028
Trypanosoma brucei	Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative	0.0257	0.2155	0.2154
Schistosoma mansoni	hypothetical protein	0.0041	0.0193	0.0193
Trichomonas vaginalis	heat shock protein, putative	0.0708	0.6251	0.625
Brugia malayi	Hsp90 protein	0.0504	0.4392	0.4391
Echinococcus multilocularis	solute carrier family 5	0.004	0.0179	0.0177
Toxoplasma gondii	Hsp90 domain-containing protein	0.0459	0.3984	0.3983
Trichomonas vaginalis	replication factor C large subunit, putative	0.002	0.0002	0.00000025563
Entamoeba histolytica	protein kinase, putative	0.0023	0.003	0.0028
Trichomonas vaginalis	mismatch repair protein Mlh1C (mutL homolog)	0.0257	0.2155	0.2154
Trypanosoma brucei	heat shock protein 90, putative	0.1121	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.003	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1192	0.1191
Treponema pallidum	DNA gyrase, subunit B (gyrB)	0.0257	0.2155	0.2785
Schistosoma mansoni	hypothetical protein	0.0041	0.0193	0.0193
Plasmodium vivax	hypothetical protein, conserved	0.0257	0.2155	0.2154
Loa Loa (eye worm)	hypothetical protein	0.1046	0.9313	0.9313
Plasmodium falciparum	heat shock protein 90, putative	0.0496	0.4322	0.4321
Trypanosoma brucei	pyruvate dehydrogenase (lipoamide) kinase, putative	0.0292	0.2469	0.2467
Trichomonas vaginalis	endoplasmin, putative	0.0708	0.6251	0.625
Entamoeba histolytica	protein kinase, putative	0.0023	0.003	0.0028
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0872	0.7734	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0142	0.1113	0.1111
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0095	0.0684	0.0682
Loa Loa (eye worm)	hypothetical protein	0.0359	0.3082	0.3081
Giardia lamblia	Heat shock protein HSP 90-alpha	0.1121	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 61 uM	Ability to inhibit the deamination of adenosine by calf intestine adenosine deaminase	ChEMBL.	4068002
Ki (binding)	= 3000000 uM	Inhibitory activity against adenosine deaminase in calf intestine adenosine deaminase with respect to Coformycin	ChEMBL.	4068002
Km (binding)	= 39 uM	Ability to inhibit the deamination of adenosine by calf intestine adenosine deaminase expressed as Km	ChEMBL.	4068002

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: 174365

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 71454