TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 335.357 | Formula: C19H17N3O3
H donors: 2 H acceptors: 3 LogP: 3.35 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(c(c1)O)/C=N/NC(=O)c1c(C)onc1c1ccccc1
InChi: 1S/C19H17N3O3/c1-12-8-9-15(16(23)10-12)11-20-21-19(24)17-13(2)25-22-18(17)14-6-4-3-5-7-14/h3-11,23H,1-2H3,(H,21,24)/b20-11+
InChiKey: BBDHEHVDSCDJAO-RGVLZGJSSA-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
Homo sapiens	RAB9A, member RAS oncogene family	Starlite/ChEMBL	No references
Candida albicans	hypothetical protein	Starlite/ChEMBL	No references
Homo sapiens	Niemann-Pick disease, type C1	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Entamoeba histolytica	Niemann-Pick C1 protein, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Leishmania infantum	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Candida albicans	heat shock protein	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma japonicum	ko:K04079 molecular chaperone HtpG, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus multilocularis	heat shock protein	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus multilocularis	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trichomonas vaginalis	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus multilocularis	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei gambiense	Heat shock protein 83, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Leishmania braziliensis	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Brugia malayi	Endoplasmin precursor	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Candida albicans	hypothetical protein	Get druggable targets OG5_126623	All targets in OG5_126623
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium vivax	endoplasmin, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Cryptosporidium parvum	Hsp90	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma cruzi	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Babesia bovis	hsp90 protein	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania infantum	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus multilocularis	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma japonicum	Heat shock protein HSP 90-beta, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania infantum	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma cruzi	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium yoelii	putative heat shock protein 81-2	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma mansoni	endoplasmin	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Cryptosporidium hominis	heat shock protein 83	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Treponema pallidum	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Giardia lamblia	Heat shock protein HSP 90-alpha	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	endoplasmin	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma mansoni	heat shock protein	Get druggable targets OG5_126623	All targets in OG5_126623
Entamoeba histolytica	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium berghei	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Neospora caninum	HSP90-like protein, related	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania infantum	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Entamoeba histolytica	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Mycobacterium ulcerans	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus granulosus	endoplasmin	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	Heat shock protein 83, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium yoelii	heat shock 90 kDa protein homolog	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma japonicum	Heat shock protein 83, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania mexicana	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma cruzi	heat shock protein 85, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei gambiense	Heat shock protein 83, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma cruzi	heat shock protein 85, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus granulosus	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Trichomonas vaginalis	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei gambiense	heat shock protein 83,heat shock protein	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus granulosus	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma congolense	Heat shock protein 83, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma japonicum	ko:K09487 heat shock protein 90kDa beta, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma japonicum	Heat shock protein HSP 90-alpha, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma japonicum	IPR003367,Thrombospondin type 3 repeat;IPR002048,Calcium-binding EF-hand,domain-containing	Get druggable targets OG5_126623	All targets in OG5_126623
Candida albicans	potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home	Get druggable targets OG5_128206	All targets in OG5_128206
Trypanosoma congolense	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma mansoni	niemann-pick C1 (NPC1)	Get druggable targets OG5_128206	All targets in OG5_128206
Trichomonas vaginalis	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium knowlesi	endoplasmin, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania donovani	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium falciparum	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei gambiense	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus multilocularis	endoplasmin	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma cruzi	heat shock protein 85, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Brugia malayi	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma japonicum	ko:K07003 Niemann Pick type C1, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Trypanosoma cruzi	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania braziliensis	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Plasmodium vivax	heat shock protein 86, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Neospora caninum	HSP90, related	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium knowlesi	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Giardia lamblia	Heat shock protein HSP 90-alpha	Get druggable targets OG5_126623	All targets in OG5_126623
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Trypanosoma cruzi	Heat shock protein 83, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Toxoplasma gondii	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Toxoplasma gondii	heat shock protein HSP90	Get druggable targets OG5_126623	All targets in OG5_126623
Loa Loa (eye worm)	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Trichomonas vaginalis	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania mexicana	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus granulosus	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania braziliensis	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma mansoni	endoplasmin	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma cruzi	heat shock protein 85, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Brugia malayi	Niemann-Pick C1 protein precursor	Get druggable targets OG5_128206	All targets in OG5_128206
Leishmania braziliensis	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania mexicana	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus granulosus	heat shock protein	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania donovani	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Candida albicans	heat shock protein	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium yoelii	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma congolense	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma mansoni	heat shock protein	Get druggable targets OG5_126623	All targets in OG5_126623
Theileria parva	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Giardia lamblia	Grp94/Hsp90	Get druggable targets OG5_126623	All targets in OG5_126623

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
Plasmodium falciparum	ras-related protein Rab-5B	RAB9A, member RAS oncogene family	201 aa	165 aa	30.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	sterol regulatory element binding protein	0.0051	0.1848	0.1425
Loa Loa (eye worm)	hypothetical protein	0.0062	0.2635	0.2919
Trypanosoma cruzi	Heat shock protein 83, putative	0.0039	0.104	0.1348
Leishmania major	heat shock protein 83-1	0.0039	0.104	0.1208
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0097	0.5031	0.4773
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0097	0.5031	1
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0064	0.2727	0.542
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0097	0.5031	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0039	0.104	0.1348
Leishmania major	heat shock protein 83-1	0.0039	0.104	0.1208
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0064	0.2727	0.235
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0097	0.5031	0.7307
Echinococcus granulosus	expressed conserved protein	0.0112	0.6007	0.58
Mycobacterium tuberculosis	Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH)	0.0034	0.0657	1
Leishmania major	heat shock protein 83-1	0.0039	0.104	0.1208
Trichomonas vaginalis	heat shock protein, putative	0.0039	0.104	0.2068
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.0064	0.2727	0.3088
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0097	0.5031	1
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0039	0.104	0.1208
Plasmodium vivax	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0097	0.5031	1
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.0097	0.5031	1
Brugia malayi	heat shock protein 90	0.0039	0.104	0.1022
Wolbachia endosymbiont of Brugia malayi	glyceraldehyde-3-phosphate dehydrogenase, GapA	0.0097	0.5031	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0051	0.1848	0.1478
Chlamydia trachomatis	glyceraldehyde-3-phosphate dehydrogenase	0.0097	0.5031	0.5
Echinococcus multilocularis	heat shock protein 90	0.0039	0.104	0.0577
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0097	0.5031	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0039	0.104	0.1348
Brugia malayi	CHE-14 protein	0.0051	0.1848	0.2349
Brugia malayi	Endoplasmin precursor	0.0039	0.104	0.1022
Leishmania major	heat shock protein 83-1	0.0039	0.104	0.1208
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0119	0.6501	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0097	0.5031	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0031	0.0492	0.0159
Leishmania major	heat shock protein 83-1	0.0039	0.104	0.1208
Echinococcus granulosus	heat shock protein	0.0039	0.104	0.0577
Leishmania major	heat shock protein 83-1	0.0039	0.104	0.1208
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0097	0.5031	0.4773
Echinococcus multilocularis	protein dispatched 1	0.0058	0.2342	0.1945
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0097	0.5031	0.7142
Mycobacterium ulcerans	glyceraldehyde 3-phosphate dehydrogenase Gap	0.0097	0.5031	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.0119	0.6501	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1848	0.1478
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0064	0.2723	0.4996
Trypanosoma cruzi	heat shock protein 85, putative	0.0039	0.104	0.1348
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0097	0.5031	0.7142
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0097	0.5031	0.4773
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.0067	0.2961	0.3516
Echinococcus granulosus	sterol regulatory element binding protein	0.0051	0.1848	0.1425
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0097	0.5031	1
Schistosoma mansoni	patched 1	0.0051	0.1848	0.1445
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0097	0.5031	0.7307
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0097	0.5031	1
Echinococcus multilocularis	protein patched	0.0051	0.1848	0.1425
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0097	0.5031	1
Leishmania major	heat shock protein 83-1	0.0039	0.104	0.1208
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0097	0.5031	0.7582
Trichomonas vaginalis	conserved hypothetical protein	0.0051	0.1848	0.3673
Leishmania major	heat shock protein 83-1	0.0039	0.104	0.1208
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0034	0.0653	0.0385
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0097	0.5031	0.4773
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0034	0.0653	0.1298
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0097	0.5031	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0039	0.104	0.1348
Treponema pallidum	glyceraldehyde 3-phosphate dehydrogenase (gap)	0.0097	0.5031	1
Trichomonas vaginalis	heat shock protein, putative	0.0031	0.0492	0.0979
Mycobacterium leprae	Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH)	0.0034	0.0657	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0097	0.5031	1
Trypanosoma brucei	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0064	0.2723	0.4217
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0064	0.2727	0.542
Loa Loa (eye worm)	hypothetical protein	0.0064	0.2727	0.3088
Leishmania major	heat shock protein 83-1	0.0039	0.104	0.1208
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0064	0.2723	0.4996
Echinococcus granulosus	heat shock protein 90	0.0039	0.104	0.0577
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH2	0.0097	0.5031	1
Plasmodium falciparum	glyceraldehyde-3-phosphate dehydrogenase	0.0097	0.5031	1
Trichomonas vaginalis	heat shock protein, putative	0.0031	0.0492	0.0979
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0097	0.5031	1
Echinococcus multilocularis	expressed conserved protein	0.0112	0.6007	0.58
Leishmania major	heat shock protein 83-1	0.0039	0.104	0.1208
Leishmania major	heat shock protein 83-1	0.0039	0.104	0.1208
Schistosoma mansoni	hypothetical protein	0.0049	0.1721	0.1219
Loa Loa (eye worm)	hypothetical protein	0.0119	0.6501	1
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0097	0.5031	1
Schistosoma mansoni	hypothetical protein	0.0049	0.1721	0.1219
Leishmania major	heat shock protein 83-1	0.0039	0.104	0.1208
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0097	0.5031	1
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.0064	0.2723	0.4915
Echinococcus granulosus	Niemann Pick C1 protein	0.0119	0.6501	0.632
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0121	0.6628	1
Leishmania major	heat shock protein 83-1	0.0039	0.104	0.1208
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0097	0.5031	0.7142
Schistosoma mansoni	hypothetical protein	0.0049	0.1721	0.1219
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0097	0.5031	1
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0064	0.2727	0.235
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, cytosolic	0.0097	0.5031	1
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0097	0.5031	0.7307
Echinococcus granulosus	Protein patched homolog 1	0.0051	0.1848	0.1425
Leishmania major	heat shock protein 83-1	0.0039	0.104	0.1208
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.0067	0.2961	0.3516
Schistosoma mansoni	hypothetical protein	0.0049	0.1721	0.1219
Echinococcus multilocularis	Niemann Pick C1 protein	0.017	1	1
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.0064	0.2727	0.3088
Leishmania major	glyceraldehyde-3-phosphate dehydrogenase-like protein	0.0064	0.2723	0.4915
Echinococcus multilocularis	heat shock protein	0.0039	0.104	0.0577
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0097	0.5031	1
Trichomonas vaginalis	heat shock protein, putative	0.0031	0.0492	0.0979
Leishmania major	heat shock protein 83-1	0.0039	0.104	0.1208
Echinococcus multilocularis	Niemann Pick C1 protein	0.0119	0.6501	0.632
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0097	0.5031	1
Leishmania major	heat shock protein 83-1	0.0039	0.104	0.1208
Plasmodium falciparum	heat shock protein 90	0.0039	0.104	0.2068
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH1	0.0097	0.5031	1
Leishmania major	heat shock protein 83-1	0.0039	0.104	0.1208
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0097	0.5031	0.7142
Trypanosoma cruzi	heat shock protein 90, putative	0.0031	0.0492	0.0159

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 6.159 uM	PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors of Resistant C. albicans Growth in the Presence of Fluconazole. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1979, AID2007]	ChEMBL.	No reference
Potency (functional)	= 3.1623 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 4.4668 um	PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 6.3096 um	PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.5878 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143]	ChEMBL.	No reference
Potency (functional)	32.6294 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL3191817

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1856946