TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 673.421 | Formula: C28H38BrIN2O4
H donors: 2 H acceptors: 1 LogP: 6.04 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: CC[C@H]1CN2CCc3c([C@@H]2C[C@@H]1C[C@H]1NCCc2c1cc(OC)c(c2I)O)cc(c(c3)OC)OC.Br
InChi: 1S/C28H37IN2O4.BrH/c1-5-16-15-31-9-7-17-12-24(33-2)25(34-3)13-20(17)23(31)11-18(16)10-22-21-14-26(35-4)28(32)27(29)19(21)6-8-30-22;/h12-14,16,18,22-23,30,32H,5-11,15H2,1-4H3;1H/t16-,18-,22+,23-;/m0./s1
InChiKey: NOTSXXHENAAMDK-BJNIXZILSA-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

Species	Target name	Source	Bibliographic reference
Leishmania mexicana	glucose transporter, lmgt2	Starlite/ChEMBL	No references
Plasmodium falciparum	hexose transporter	Starlite/ChEMBL	No references
Homo sapiens	solute carrier family 2 (facilitated glucose transporter), member 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania donovani	glucose transporter/membrane transporter D2, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Schistosoma mansoni	glucose transport protein	Get druggable targets OG5_127135	All targets in OG5_127135
Leishmania infantum	glucose transporter, lmgt1	Get druggable targets OG5_129633	All targets in OG5_129633
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Leishmania mexicana	glucose transporter, lmgt3	Get druggable targets OG5_129633	All targets in OG5_129633
Plasmodium vivax	hexose transporter	Get druggable targets OG5_127135	All targets in OG5_127135
Leishmania braziliensis	lmgt2, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Leishmania braziliensis	glucose transporter, lmgt2	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei gambiense	glucose transporter	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei gambiense	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trichomonas vaginalis	sugar transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Candida albicans	almost identical to C terminus of CaP19.2425	Get druggable targets OG5_127135	All targets in OG5_127135
Echinococcus granulosus	solute carrier family 2 facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Schistosoma japonicum	IPR005828,General substrate transporter,domain-containing	Get druggable targets OG5_127135	All targets in OG5_127135
Leishmania mexicana	glucose transporter, lmgt2	Get druggable targets OG5_129633	All targets in OG5_129633
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_127135	All targets in OG5_127135
Leishmania braziliensis	glucose transporter/membrane transporter D2, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma cruzi	hexose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Schistosoma japonicum	Solute carrier family 2, facilitated glucose transporter member 1, putative	Get druggable targets OG5_127135	All targets in OG5_127135
Trypanosoma brucei	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Plasmodium berghei	hexose transporter	Get druggable targets OG5_127135	All targets in OG5_127135
Leishmania donovani	glucose transporter 3, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_127135	All targets in OG5_127135
Leishmania mexicana	glucose transporter/membrane transporter D2, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma cruzi	hexose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei gambiense	glucose transporter,glucose transporter 2A, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trichomonas vaginalis	sugar transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_129633	All targets in OG5_129633
Leishmania major	glucose transporter, lmgt3	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei	THT1 - hexose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Candida albicans	almost identical to C terminus of CaP19.2425	Get druggable targets OG5_127135	All targets in OG5_127135
Schistosoma mansoni	glucose transport protein	Get druggable targets OG5_127135	All targets in OG5_127135
Toxoplasma gondii	facilitative glucose transporter GT1	Get druggable targets OG5_127135	All targets in OG5_127135
Trypanosoma brucei gambiense	hexose transporter,glucose transporter 1B	Get druggable targets OG5_129633	All targets in OG5_129633
Schistosoma mansoni	glucose transport protein	Get druggable targets OG5_127135	All targets in OG5_127135
Trypanosoma congolense	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Plasmodium falciparum	hexose transporter	Get druggable targets OG5_127135	All targets in OG5_127135
Trypanosoma brucei	glucose transporter 2A	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei	THT1 - hexose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei gambiense	hexose transporter,glucose transporter 1B, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Leishmania major	glucose transporter/membrane transporter D2, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Leishmania infantum	glucose transporter/membrane transporter D2, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Leishmania donovani	glucose transporter 1	Get druggable targets OG5_129633	All targets in OG5_129633
Echinococcus granulosus	General substrate transporter	Get druggable targets OG5_127135	All targets in OG5_127135
Trichomonas vaginalis	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Leishmania infantum	glucose transporter, lmgt2	Get druggable targets OG5_129633	All targets in OG5_129633
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Trypanosoma brucei	glucose transporter 1E	Get druggable targets OG5_129633	All targets in OG5_129633
Candida albicans	C terminus is almost identical to CaP19.2865	Get druggable targets OG5_127135	All targets in OG5_127135
Leishmania major	glucose transporter, lmgt1	Get druggable targets OG5_129633	All targets in OG5_129633
Schistosoma japonicum	Solute carrier family 2, facilitated glucose transporter member 4, putative	Get druggable targets OG5_127135	All targets in OG5_127135
Leishmania major	glucose transporter, lmgt2	Get druggable targets OG5_129633	All targets in OG5_129633
Leishmania infantum	glucose transporter, lmgt3	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma congolense	glucose transporter 2A, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Plasmodium yoelii	putative sugar transporter	Get druggable targets OG5_127135	All targets in OG5_127135
Neospora caninum	Glucose transporter 1A, related	Get druggable targets OG5_127135	All targets in OG5_127135
Trichomonas vaginalis	sugar transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma cruzi	hexose transporter	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma cruzi	hexose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Candida albicans	C terminus is almost identical to CaP19.2865	Get druggable targets OG5_127135	All targets in OG5_127135
Loa Loa (eye worm)	sugar transporter	Get druggable targets OG5_127135	All targets in OG5_127135
Echinococcus granulosus	solute carrier family 2 facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Echinococcus multilocularis	General substrate transporter	Get druggable targets OG5_127135	All targets in OG5_127135
Echinococcus granulosus	solute carrier family 2 facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Brugia malayi	Sugar transporter family protein	Get druggable targets OG5_127135	All targets in OG5_127135
Echinococcus granulosus	solute carrier family 2 facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Trypanosoma brucei	THT1 - hexose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Plasmodium knowlesi	hexose transporter, putative	Get druggable targets OG5_127135	All targets in OG5_127135
Trypanosoma congolense	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Schistosoma japonicum	ko:K07299 MFS transporter, SP family, solute carrier family 2 (facilitated, putative	Get druggable targets OG5_127135	All targets in OG5_127135
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Schistosoma japonicum	ko:K07191 MFS transporter, SP family, solute carrier family 2 (facilitated, putative	Get druggable targets OG5_127135	All targets in OG5_127135
Trichomonas vaginalis	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Schistosoma japonicum	Solute carrier family 2, facilitated glucose transporter member 3, putative	Get druggable targets OG5_127135	All targets in OG5_127135
Trypanosoma cruzi	hexose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Leishmania mexicana	glucose transporter, lmgt1	Get druggable targets OG5_129633	All targets in OG5_129633
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_129633	All targets in OG5_129633

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	glucose transporter, putative	solute carrier family 2 (facilitated glucose transporter), member 1	492 aa	395 aa	23.5 %
Trypanosoma brucei	glucose transporter, putative	hexose transporter	504 aa	426 aa	22.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0613	0.0865
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0045	0.0891	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.012	0.3193	0.4771
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0533	0.1465
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0687	0.1924
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0891	0.2534
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0036	0.0607	0.6197
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0033	0.05	0.5029
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0613	0.6273
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0045	0.0891	0.9324
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0533	0.1465
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0157	0.4338	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0157	0.4338	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0613	0.133
Giardia lamblia	GTOR	0.0045	0.0891	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0613	0.1705
Trichomonas vaginalis	esterase, putative	0.0036	0.0613	0.1705
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0231	0.6646	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0045	0.0891	0.1976
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0278	0.0548
Brugia malayi	hypothetical protein	0.0018	0.0042	0.0098
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0613	0.0573
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0157	0.4338	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0278	0.0548
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0613	0.133
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0613	0.1705
Brugia malayi	major facilitator superfamily protein	0.0018	0.0042	0.0098
Toxoplasma gondii	ABC1 family protein	0.0036	0.0613	0.133
Entamoeba histolytica	hypothetical protein	0.0036	0.0613	0.2873
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0533	0.1465
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0126	0.3393	0.3365
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0703	0.1973
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0533	0.1465
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0033	0.0525	0.1209
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0613	0.133
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0033	0.0525	0.1123
Trypanosoma cruzi	hexose transporter, putative	0.0039	0.0703	0.7259
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0613	0.133
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0045	0.0891	0.0853
Trypanosoma brucei	glucose transporter, putative	0.0039	0.0703	0.7259
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0247	0.0612
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0126	0.3393	0.3365
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0703	0.1973
Trypanosoma brucei	glucose transporter, putative	0.0039	0.0703	0.7259
Toxoplasma gondii	facilitative glucose transporter GT1	0.0126	0.3393	0.78
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0613	0.0865
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0613	0.0865
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0613	0.1705
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0126	0.3393	0.3365
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0613	0.1414
Trypanosoma cruzi	hexose transporter, putative	0.0021	0.0155	0.1238
Brugia malayi	Major Facilitator Superfamily protein	0.0018	0.0042	0.0098
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0613	0.0573
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0047	0.0953	0.0914
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0033	0.05	0.5029
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0329	0.0855
Entamoeba histolytica	hypothetical protein	0.0036	0.0613	0.2873
Brugia malayi	glutathione reductase	0.0047	0.0953	0.2197
Leishmania major	hypothetical protein, conserved	0.0025	0.0278	0.2586
Brugia malayi	major facilitator superfamily protein	0.0018	0.0042	0.0098
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0157	0.4338	1
Plasmodium vivax	hexose transporter	0.0126	0.3393	0.78
Trichomonas vaginalis	rotamase, putative	0.0033	0.05	0.1367
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0249	0.0615
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.1032	0.2303
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0613	0.133
Brugia malayi	beta-lactamase	0.0036	0.0613	0.1414
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0613	0.0865
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0034	0.0533	0.1143
Brugia malayi	Thioredoxin reductase	0.0047	0.0953	0.2197
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0891	0.2534
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0613	0.1705
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0525	0.1439
Echinococcus granulosus	expressed protein	0.0033	0.0525	0.0484
Brugia malayi	hypothetical protein	0.0025	0.0278	0.064
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0605	0.168
Leishmania major	glucose transporter, lmgt1	0.0039	0.0703	0.7259
Trypanosoma cruzi	hexose transporter	0.0039	0.0703	0.7259
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0891	0.2055
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0891	0.2534
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0605	0.168
Plasmodium falciparum	thioredoxin reductase	0.0047	0.0953	0.212
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0613	0.0574
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0533	0.1465
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0103	0.2669	0.5519
Schistosoma mansoni	rotamase	0.0033	0.0525	0.1123
Brugia malayi	Probable ClpP-like protease	0.0157	0.4338	1
Leishmania major	glucose transporter, lmgt3	0.0039	0.0703	0.7259
Brugia malayi	hypothetical protein	0.0018	0.0042	0.0098
Brugia malayi	Sugar transporter family protein	0.0126	0.3393	0.7822
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0033	0.05	0.5029
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0613	0.6273
Trypanosoma brucei	glucose transporter, putative	0.0039	0.0703	0.7259
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0054	0.1163	0.1475
Trichomonas vaginalis	sugar transporter, putative	0.0039	0.0703	0.1973
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0039	0.0703	0.7259
Plasmodium vivax	glutathione reductase, putative	0.0047	0.0953	0.212
Trypanosoma brucei	trypanothione reductase	0.0047	0.0953	1
Leishmania major	glucose transporter, lmgt2	0.0039	0.0703	0.7259
Schistosoma mansoni	hypothetical protein	0.0126	0.3393	0.78
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0108	0.2822	0.4209
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0126	0.3393	0.3365
Schistosoma mansoni	peptidase Clp (S14 family)	0.0157	0.4338	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0613	0.2873
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0613	0.0865
Trichomonas vaginalis	rotamase, putative	0.0033	0.0525	0.1439
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0157	0.4338	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0278	0.0548
Trypanosoma brucei	glucose transporter, putative	0.0039	0.0703	0.7259
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0157	0.4338	0.4314
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0033	0.05	0.5029
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0605	0.168
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0613	0.133
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0431	0.1161
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0108	0.2822	0.4209
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0613	0.0865
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0039	0.0703	0.7259
Mycobacterium tuberculosis	Probable dehydrogenase	0.0108	0.2822	0.4209
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0613	0.133
Trypanosoma cruzi	hexose transporter, putative	0.0039	0.0703	0.7259
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0157	0.4338	1
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0613	0.6273
Loa Loa (eye worm)	sugar transporter	0.0126	0.3393	0.78
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0613	0.0865
Schistosoma mansoni	glucose transport protein	0.0126	0.3393	0.78
Brugia malayi	hypothetical protein	0.0018	0.0042	0.0098
Onchocerca volvulus		0.0036	0.0613	0.5773
Brugia malayi	beta-lactamase family protein	0.0036	0.0613	0.1414
Leishmania major	trypanothione reductase	0.0047	0.0953	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.012	0.3193	0.4771
Plasmodium falciparum	hexose transporter	0.0126	0.3393	0.78
Schistosoma mansoni	hypothetical protein	0.0036	0.0613	0.1328
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0045	0.0891	0.9324
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0613	0.133
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0157	0.4338	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0613	0.1414
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0108	0.2822	0.4209
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0401	0.1071
Leishmania major	hypothetical protein, conserved	0.0036	0.0613	0.6273
Brugia malayi	hypothetical protein	0.0036	0.0613	0.1412
Onchocerca volvulus		0.0036	0.0613	0.5773
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0329	0.0855
Toxoplasma gondii	hypothetical protein	0.0054	0.1163	0.2609
Schistosoma mansoni	glucose transport protein	0.0126	0.3393	0.78
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0054	0.1163	0.2609
Echinococcus multilocularis	General substrate transporter	0.0108	0.2845	0.2815
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0108	0.2822	0.4209
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0157	0.4338	0.5
Entamoeba histolytica	hypothetical protein	0.0036	0.0613	0.2873
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0126	0.3393	0.3365
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0045	0.0891	0.9324
Plasmodium falciparum	glutathione reductase	0.0047	0.0953	0.212
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0054	0.1163	0.2609
Loa Loa (eye worm)	hypothetical protein	0.005	0.1032	0.2303
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0019	0.0074	0.0352
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0613	0.0865
Loa Loa (eye worm)	glutathione reductase	0.0047	0.0953	0.212
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0249	0.0615
Trypanosoma brucei	glucose transporter, putative	0.0039	0.0703	0.7259
Echinococcus multilocularis	tumor protein p63	0.034	1	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0045	0.0891	0.0853
Trypanosoma cruzi	hexose transporter, putative	0.0039	0.0703	0.7259
Trichomonas vaginalis	conserved hypothetical protein	0.0126	0.3393	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0108	0.2822	0.5929
Echinococcus multilocularis	expressed protein	0.0033	0.0525	0.0484
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0321	0.0831
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.012	0.3193	0.4771
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0278	0.0548
Plasmodium vivax	thioredoxin reductase, putative	0.0047	0.0953	0.212
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0613	0.133
Trypanosoma brucei	glucose transporter 2A	0.0039	0.0703	0.7259
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0613	0.1705
Schistosoma mansoni	glucose transport protein	0.0126	0.3393	0.78
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0249	0.0615
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0605	0.168
Echinococcus granulosus	thioredoxin glutathione reductase	0.0047	0.0953	0.0914
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0047	0.0953	0.1379
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0247	0.0612
Onchocerca volvulus		0.005	0.1032	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0047	0.0953	1
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0157	0.4338	0.4314
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0613	0.133
Onchocerca volvulus		0.0036	0.0613	0.5773
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0157	0.4338	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0247	0.0612
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0126	0.3393	0.3365
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0039	0.0703	0.7259
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0613	0.133
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0613	0.133
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0126	0.3393	0.3365
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0613	0.1328
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0613	0.133
Trypanosoma brucei	glucose transporter 1E	0.0039	0.0703	0.7259
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0329	0.0855
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0533	0.1465
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0249	0.0615
Echinococcus granulosus	peptidase Clp S14 family	0.0103	0.2669	0.2638
Brugia malayi	Major Facilitator Superfamily protein	0.0018	0.0042	0.0098
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.012	0.3193	0.6926
Brugia malayi	Major Facilitator Superfamily protein	0.0018	0.0042	0.0098
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0045	0.0891	0.9324
Trichomonas vaginalis	sugar transporter, putative	0.0039	0.0703	0.1973
Mycobacterium tuberculosis	Probable reductase	0.0108	0.2822	0.4209
Trichomonas vaginalis	sugar transporter, putative	0.0039	0.0703	0.1973
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0613	0.0574
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0103	0.2669	0.3978
Trypanosoma brucei	glucose transporter, putative	0.0039	0.0703	0.7259
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0039	0.0703	0.7259
Loa Loa (eye worm)	thioredoxin reductase	0.0047	0.0953	0.212
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0605	0.168
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0613	0.133
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0126	0.3393	0.3365
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0045	0.0891	0.9324
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0103	0.2669	0.2638
Mycobacterium ulcerans	lipase LipD	0.0036	0.0613	0.133
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0613	0.0865
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0278	0.2586
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0613	0.133
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0021	0.0155	0.1236
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0045	0.0891	0.9324
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0278	0.2586
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0036	0.0607	0.6197
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0278	0.0548
Trichomonas vaginalis	glucose transporter, putative	0.0039	0.0703	0.1973
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0103	0.2669	0.3978
Brugia malayi	Sugar transporter family protein	0.0018	0.0042	0.0098
Toxoplasma gondii	thioredoxin reductase	0.0047	0.0953	0.212
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0278	0.2586
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0045	0.0891	0.1976
Loa Loa (eye worm)	hypothetical protein	0.0157	0.4338	1
Trichomonas vaginalis	glucose transporter, putative	0.0039	0.0703	0.1973
Brugia malayi	Sugar transporter family protein	0.0018	0.0042	0.0098
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0613	0.0865
Echinococcus granulosus	General substrate transporter	0.0108	0.2845	0.2815
Trypanosoma brucei	glucose transporter, putative	0.0039	0.0703	0.7259
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0533	0.1465
Toxoplasma gondii	peptidylprolyl isomerase	0.0033	0.05	0.1066
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0045	0.0891	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.0036	0.0607	0.6197
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0157	0.4338	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0157	0.4338	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0321	0.0831
Trypanosoma brucei	glucose transporter, putative	0.0039	0.0703	0.7259

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 157 nM	ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
IC50 (functional)	= 166 nM	ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
IC50 (functional)	= 192 nM	ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 0 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 54 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 89.96 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 93.89 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 96.57 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 100 %	GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 100 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition frequency index (IFI) (functional)	= 9.6	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= -4 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 54 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 101 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 101 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.66	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.21633 uM	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth.	ChEMBL.	20485427

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: CHEMBL535750
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 596460