TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 355.365 | Formula: C18H13NO5S
H donors: 1 H acceptors: 4 LogP: 3.5 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)CN1C(=O)S/C(=C\c2ccc(cc2)Oc2ccccc2)/C1=O
InChi: 1S/C18H13NO5S/c20-16(21)11-19-17(22)15(25-18(19)23)10-12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-10H,11H2,(H,20,21)/b15-10-
InChiKey: DXXUCYIEDLGBND-GDNBJRDFSA-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	aldo-keto reductase family 1, member B1 (aldose reductase)	Starlite/ChEMBL	References
Bos taurus	Aldose reductase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania donovani	aldo-keto reductase-like protein	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus granulosus	aldo keto reductase family 1 member B4	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus multilocularis	aldo keto reductase family 1, member B4	Get druggable targets OG5_126583	All targets in OG5_126583
Leishmania infantum	aldehyde reductase, putative,oxidoreductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	Get druggable targets OG5_126583	All targets in OG5_126583
Trypanosoma cruzi	aldo-keto reductase	Get druggable targets OG5_126583	All targets in OG5_126583
Trichomonas vaginalis	aldo/keto reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Schistosoma japonicum	ko:K00011 aldehyde reductase [EC1.1.1.21], putative	Get druggable targets OG5_126583	All targets in OG5_126583
Trichomonas vaginalis	aldo-keto reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Trypanosoma brucei gambiense	aldo-keto reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus multilocularis	aldo keto reductase family 1, member B4	Get druggable targets OG5_126583	All targets in OG5_126583
Trichomonas vaginalis	aldo-keto reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Leishmania braziliensis	aldehyde reductase, putative,oxidoreductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus multilocularis	aldo keto reductase family 1, member B4	Get druggable targets OG5_126583	All targets in OG5_126583
Neospora caninum	Oxidoreductase, aldo/keto reductase family, related	Get druggable targets OG5_126583	All targets in OG5_126583
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Schistosoma mansoni	aldo-keto reductase	Get druggable targets OG5_126583	All targets in OG5_126583
Trypanosoma congolense	aldo-keto reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus granulosus	aldo keto reductase family 1 member B4	Get druggable targets OG5_126583	All targets in OG5_126583
Trichomonas vaginalis	aldo-keto reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Mycobacterium ulcerans	oxidoreductase	Get druggable targets OG5_126583	All targets in OG5_126583
Trichomonas vaginalis	aldo-keto reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Trichomonas vaginalis	aldo-keto reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus multilocularis	aldehyde reductase	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus multilocularis	aldo keto reductase	Get druggable targets OG5_126583	All targets in OG5_126583
Leishmania mexicana	aldo-keto reductase-like protein	Get druggable targets OG5_126583	All targets in OG5_126583
Loa Loa (eye worm)	oxidoreductase	Get druggable targets OG5_126583	All targets in OG5_126583
Leishmania major	prostaglandin f synthase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Leishmania braziliensis	aldo-keto reductase-like protein	Get druggable targets OG5_126583	All targets in OG5_126583
Trypanosoma cruzi	aldo/keto reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Candida albicans	see also nonallelic CaP19.2244	Get druggable targets OG5_126583	All targets in OG5_126583
Trypanosoma brucei	prostaglandin f synthase	Get druggable targets OG5_126583	All targets in OG5_126583
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus multilocularis	aldo keto reductase family 1, member B4	Get druggable targets OG5_126583	All targets in OG5_126583
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	Get druggable targets OG5_126583	All targets in OG5_126583
Entamoeba histolytica	aldose reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Candida albicans	similar to mammalian aldo/keto reductases	Get druggable targets OG5_126583	All targets in OG5_126583
Schistosoma mansoni	aldo-keto reductase	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus multilocularis	aldo keto reductase family 1, member B4	Get druggable targets OG5_126583	All targets in OG5_126583
Trypanosoma congolense	prostaglandin f synthase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Trichomonas vaginalis	aldo-keto reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Trichomonas vaginalis	aldo/keto reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Leishmania mexicana	prostaglandin f2-alpha synthase	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus multilocularis	aldo keto reductase	Get druggable targets OG5_126583	All targets in OG5_126583
Entamoeba histolytica	aldose reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Mycobacterium tuberculosis	Probable oxidoreductase	Get druggable targets OG5_126583	All targets in OG5_126583
Onchocerca volvulus		Get druggable targets OG5_126583	All targets in OG5_126583
Trichomonas vaginalis	aldo-keto reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Schistosoma mansoni	pol-related	Get druggable targets OG5_126583	All targets in OG5_126583
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126583	All targets in OG5_126583
Entamoeba histolytica	aldose reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Leishmania mexicana	aldehyde reductase, putative,oxidoreductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Loa Loa (eye worm)	oxidoreductase	Get druggable targets OG5_126583	All targets in OG5_126583
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	Get druggable targets OG5_126583	All targets in OG5_126583
Candida albicans	Aldose reductase	Get druggable targets OG5_126583	All targets in OG5_126583
Mycobacterium leprae	Conserved hypothetical protein	Get druggable targets OG5_126583	All targets in OG5_126583
Loa Loa (eye worm)	oxidoreductase	Get druggable targets OG5_126583	All targets in OG5_126583
Leishmania major	aldo-keto reductase-like protein	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus multilocularis	aldo keto reductase	Get druggable targets OG5_126583	All targets in OG5_126583
Leishmania infantum	prostaglandin f synthase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Trichomonas vaginalis	aldo-keto reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Loa Loa (eye worm)	oxidoreductase	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus granulosus	aldo keto reductase family 1 member B4	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus granulosus	aldo keto reductase family 1 member B4	Get druggable targets OG5_126583	All targets in OG5_126583
Onchocerca volvulus		Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus granulosus	aldo keto reductase	Get druggable targets OG5_126583	All targets in OG5_126583
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus multilocularis	aldo keto reductase family 1, member B4	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus multilocularis	aldo keto reductase family 1, member B4	Get druggable targets OG5_126583	All targets in OG5_126583
Giardia lamblia	Aldose reductase	Get druggable targets OG5_126583	All targets in OG5_126583
Leishmania donovani	prostaglandin f2-alpha synthase	Get druggable targets OG5_126583	All targets in OG5_126583
Leishmania infantum	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	Get druggable targets OG5_126583	All targets in OG5_126583
Onchocerca volvulus		Get druggable targets OG5_126583	All targets in OG5_126583
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	Get druggable targets OG5_126583	All targets in OG5_126583
Onchocerca volvulus		Get druggable targets OG5_126583	All targets in OG5_126583
Onchocerca volvulus		Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus granulosus	aldo keto reductase family 1 member B4	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus granulosus	aldo keto reductase family 1 member B4	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus multilocularis	aldo keto reductase family 1, member B4	Get druggable targets OG5_126583	All targets in OG5_126583
Candida albicans	Aldose reductase	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus multilocularis	aldo keto reductase family 1, member B4	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus multilocularis	aldo keto reductase family 1, member B4	Get druggable targets OG5_126583	All targets in OG5_126583
Candida albicans	similar to mammalian aldo/keto reductases	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus granulosus	aldo keto reductase	Get druggable targets OG5_126583	All targets in OG5_126583
Trypanosoma brucei	aldo-keto reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Trichomonas vaginalis	aldo-keto reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus multilocularis	aldo keto reductase family 1, member B4	Get druggable targets OG5_126583	All targets in OG5_126583
Onchocerca volvulus		Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus granulosus	hypothetical protein	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus granulosus	aldo keto reductase family 1 member B4	Get druggable targets OG5_126583	All targets in OG5_126583
Trichomonas vaginalis	aldo-keto reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Leishmania mexicana	prostaglandin f synthase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Trypanosoma brucei gambiense	prostaglandin f synthase. putative	Get druggable targets OG5_126583	All targets in OG5_126583
Trichomonas vaginalis	aldo-keto reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Giardia lamblia	Aldose reductase	Get druggable targets OG5_126583	All targets in OG5_126583
Trichomonas vaginalis	aldo-keto reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Candida albicans	similar to mammalian aldo/keto reductases	Get druggable targets OG5_126583	All targets in OG5_126583
Loa Loa (eye worm)	oxidoreductase	Get druggable targets OG5_126583	All targets in OG5_126583
Toxoplasma gondii	aldose reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Leishmania braziliensis	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	Get druggable targets OG5_126583	All targets in OG5_126583
Schistosoma japonicum	IPR001395,Aldo/keto reductase,domain-containing	Get druggable targets OG5_126583	All targets in OG5_126583
Leishmania donovani	aldehyde reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Leishmania braziliensis	prostaglandin f synthase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	Get druggable targets OG5_126583	All targets in OG5_126583
Leishmania infantum	aldo-keto reductase-like protein	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus granulosus	aldo keto reductase	Get druggable targets OG5_126583	All targets in OG5_126583
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	Get druggable targets OG5_126583	All targets in OG5_126583
Candida albicans	similar to mammalian aldo/keto reductases	Get druggable targets OG5_126583	All targets in OG5_126583
Trichomonas vaginalis	aldo/keto reductase, putative	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus granulosus	aldehyde reductase	Get druggable targets OG5_126583	All targets in OG5_126583
Candida albicans	see also nonallelic CaP19.2244	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus multilocularis	aldo keto reductase	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus granulosus	aldo keto reductase family 1 member B4	Get druggable targets OG5_126583	All targets in OG5_126583
Echinococcus granulosus	aldo keto reductase family 1 member B4	Get druggable targets OG5_126583	All targets in OG5_126583
Leishmania donovani	prostaglandin f synthase, putative	Get druggable targets OG5_126583	All targets in OG5_126583

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	Aldose reductase	315 aa	294 aa	24.8 %
Candida albicans	D-arabinose dehydrogenase, NADP-dependent	Aldose reductase	315 aa	294 aa	35.4 %
Onchocerca volvulus		Aldose reductase	315 aa	316 aa	36.7 %
Candida albicans	putative aryl alcohol dehydrogenase	Aldose reductase	315 aa	326 aa	20.9 %
Onchocerca volvulus	Multiple coagulation factor deficiency protein 2 homolog	Aldose reductase	315 aa	323 aa	40.2 %
Candida albicans	aryl alcohol dehydrogenase	Aldose reductase	315 aa	319 aa	18.2 %
Leishmania mexicana	aldo/keto reductase, putative,aldo/keto reductase family-like protein	Aldose reductase	315 aa	349 aa	25.2 %
Candida albicans	aryl alcohol dehydrogenase	Aldose reductase	315 aa	319 aa	18.2 %
Candida albicans	see also nonallelic CaP19.6816	Aldose reductase	315 aa	279 aa	29.7 %
Candida albicans	D-arabinose dehydrogenase, NADP-dependent	Aldose reductase	315 aa	294 aa	35.4 %
Candida albicans	putative aryl alcohol dehydrogenase	Aldose reductase	315 aa	310 aa	20.0 %
Neospora caninum	aldo/keto reductase family oxidoreductase, putative	Aldose reductase	315 aa	291 aa	21.3 %
Onchocerca volvulus		Aldose reductase	315 aa	324 aa	39.8 %
Trypanosoma cruzi	aldo/keto reductase, putative	Aldose reductase	315 aa	304 aa	29.3 %
Candida albicans	similar to putative aryl alcohol dehydrogenase family	Aldose reductase	315 aa	314 aa	18.2 %
Mycobacterium ulcerans	hypothetical protein	Aldose reductase	315 aa	322 aa	24.8 %
Mycobacterium tuberculosis	Conserved protein	aldo-keto reductase family 1, member B1 (aldose reductase)	316 aa	325 aa	24.6 %
Candida albicans	aryl alcohol dehydrogenase	Aldose reductase	315 aa	319 aa	19.7 %
Candida albicans	aryl alcohol dehydrogenase	Aldose reductase	315 aa	319 aa	19.7 %
Mycobacterium tuberculosis	Conserved protein	Aldose reductase	315 aa	323 aa	25.4 %
Candida albicans	see also nonallelic CaP19.6816	Aldose reductase	315 aa	279 aa	29.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0077	0.5787	0.5787
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0077	0.5787	0.5787
Trypanosoma brucei	heat shock protein, putative	0.0032	0.1024	0.1769
Schistosoma mansoni	heat shock protein	0.0032	0.1024	0.1024
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0066	0.4665	0.4665
Leishmania major	heat shock protein 83-1	0.0032	0.1024	0.1769
Trypanosoma brucei	Heat shock protein 83, putative	0.0032	0.1024	0.1769
Loa Loa (eye worm)	oxidoreductase	0.0077	0.5787	0.5787
Schistosoma mansoni	pol-related	0.0077	0.5787	0.5787
Brugia malayi	Endoplasmin precursor	0.0032	0.1024	0.1024
Echinococcus multilocularis	transcription factor Dp 1	0.0038	0.1706	0.1706
Trichomonas vaginalis	heat shock protein, putative	0.0025	0.0335	0.0578
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0077	0.5787	1
Onchocerca volvulus	Alhambra homolog	0.0028	0.0647	0.0647
Echinococcus multilocularis	aldo keto reductase	0.0077	0.5787	0.5787
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0077	0.5787	0.5787
Trypanosoma brucei	heat shock protein, putative	0.0032	0.1024	0.1769
Leishmania major	heat shock protein 83-1	0.0032	0.1024	0.1769
Onchocerca volvulus		0.0077	0.5787	0.5787
Toxoplasma gondii	aldose reductase, putative	0.0077	0.5787	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0077	0.5787	1
Echinococcus granulosus	aldo keto reductase	0.0077	0.5787	0.5787
Entamoeba histolytica	aldose reductase, putative	0.0077	0.5787	1
Leishmania major	heat shock protein 83-1	0.0032	0.1024	0.1769
Echinococcus multilocularis	lysine specific demethylase 5A	0.0034	0.1279	0.1279
Loa Loa (eye worm)	oxidoreductase	0.0077	0.5787	0.5787
Brugia malayi	galectin	0.0116	1	1
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0025	0.0335	0.5
Brugia malayi	Galactoside-binding lectin family protein	0.0116	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0077	0.5787	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0077	0.5787	0.5787
Leishmania major	prostaglandin f synthase, putative	0.0077	0.5787	1
Giardia lamblia	Aldose reductase	0.0077	0.5787	1
Onchocerca volvulus		0.0077	0.5787	0.5787
Trypanosoma brucei	prostaglandin f synthase	0.0077	0.5787	1
Loa Loa (eye worm)	oxidoreductase	0.0077	0.5787	0.5787
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0077	0.5787	0.5787
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0077	0.5787	0.5787
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0077	0.5787	0.5787
Echinococcus multilocularis	heat shock protein	0.0032	0.1024	0.1024
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0028	0.0647	0.0647
Brugia malayi	heat shock protein 90	0.0032	0.1024	0.1024
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0025	0.0335	0.0578
Trichomonas vaginalis	aldo-keto reductase, putative	0.0077	0.5787	1
Trypanosoma cruzi	aldo-keto reductase	0.0077	0.5787	1
Loa Loa (eye worm)	galactoside-binding lectin family protein	0.0116	1	1
Echinococcus multilocularis	heat shock protein 90	0.0032	0.1024	0.1024
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0034	0.1279	0.1279
Leishmania major	heat shock protein 83-1	0.0032	0.1024	0.1769
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0077	0.5787	0.5787
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0025	0.0335	0.0578
Mycobacterium leprae	Conserved hypothetical protein	0.0054	0.3427	0.5922
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0077	0.5787	0.5787
Echinococcus multilocularis	endoplasmin	0.0025	0.0335	0.0335
Leishmania major	heat shock protein 83-1	0.0032	0.1024	0.1769
Echinococcus multilocularis	aldo keto reductase	0.0077	0.5787	0.5787
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0077	0.5787	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0077	0.5787	1
Echinococcus granulosus	heat shock protein 90	0.0032	0.1024	0.1024
Leishmania major	heat shock protein 83-1	0.0032	0.1024	0.1769
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0077	0.5787	1
Loa Loa (eye worm)	hypothetical protein	0.0116	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0077	0.5787	0.5787
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0077	0.5787	0.5787
Trichomonas vaginalis	aldo-keto reductase, putative	0.0077	0.5787	1
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0025	0.0335	0.0578
Toxoplasma gondii	PHD-finger domain-containing protein	0.0028	0.0647	0.1118
Brugia malayi	galectin	0.0116	1	1
Leishmania major	heat shock protein 83-1	0.0032	0.1024	0.1769
Leishmania major	heat shock protein 83-1	0.0032	0.1024	0.1769
Giardia lamblia	Aldose reductase	0.0077	0.5787	1
Echinococcus granulosus	jumonji domain containing protein	0.0039	0.1824	0.1824
Echinococcus multilocularis	aldo keto reductase	0.0077	0.5787	0.5787
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0066	0.4665	0.8061
Echinococcus granulosus	endoplasmin	0.0025	0.0335	0.0335
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0077	0.5787	0.5787
Trichomonas vaginalis	aldo/keto reductase, putative	0.0077	0.5787	1
Trypanosoma cruzi	Heat shock protein 83, putative	0.0032	0.1024	0.1769
Echinococcus granulosus	heat shock protein	0.0032	0.1024	0.1024
Echinococcus multilocularis	Galectin, carbohydrate recognition domain	0.0116	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0077	0.5787	0.5787
Trypanosoma cruzi	heat shock protein 85, putative	0.0025	0.0335	0.0578
Brugia malayi	jmjC domain containing protein	0.0092	0.7487	0.7487
Loa Loa (eye worm)	galactoside-binding lectin family protein	0.0116	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0077	0.5787	0.5787
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0077	0.5787	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.5787	0.5787
Trichomonas vaginalis	heat shock protein, putative	0.0025	0.0335	0.0578
Trypanosoma brucei	heat shock protein, putative	0.0032	0.1024	0.1769
Echinococcus granulosus	Galectin carbohydrate recognition domain	0.0116	1	1
Onchocerca volvulus	Galectin homolog	0.0116	1	1
Toxoplasma gondii	heat shock protein 90, putative	0.0032	0.1024	0.1769
Schistosoma mansoni	aldo-keto reductase	0.0077	0.5787	0.5787
Leishmania major	heat shock protein 83-1	0.0032	0.1024	0.1769
Trichomonas vaginalis	aldo-keto reductase, putative	0.0077	0.5787	1
Onchocerca volvulus		0.0077	0.5787	0.5787
Leishmania major	heat shock protein 83-1	0.0032	0.1024	0.1769
Brugia malayi	PHD-finger family protein	0.0028	0.0647	0.0647
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0025	0.0335	0.0335
Trypanosoma cruzi	heat shock protein 85, putative	0.0032	0.1024	0.1769
Echinococcus multilocularis	heat shock protein 90	0.0025	0.0335	0.0335
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0092	0.7487	0.7487
Echinococcus multilocularis	peregrin	0.0028	0.0647	0.0647
Loa Loa (eye worm)	hypothetical protein	0.0048	0.2795	0.2795
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.4665	0.8061
Schistosoma mansoni	heat shock protein	0.0032	0.1024	0.1024
Leishmania major	heat shock protein 83-1	0.0032	0.1024	0.1769
Trichomonas vaginalis	aldo-keto reductase, putative	0.0077	0.5787	1
Trypanosoma brucei	heat shock protein, putative	0.0032	0.1024	0.1769
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0077	0.5787	0.5787
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0092	0.7487	0.7487
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0077	0.5787	0.5787
Brugia malayi	Galactoside-binding lectin family protein	0.0116	1	1
Echinococcus granulosus	heat shock protein 90	0.0025	0.0335	0.0335
Echinococcus multilocularis	aldehyde reductase	0.0054	0.3427	0.3427
Echinococcus granulosus	transcription factor Dp 1	0.0038	0.1706	0.1706
Trypanosoma brucei	heat shock protein 90, putative	0.0032	0.1024	0.1769
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0066	0.4665	0.4665
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0077	0.5787	0.5787
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0066	0.4665	0.8061
Schistosoma mansoni	hypothetical protein	0.0028	0.0647	0.0647
Leishmania major	heat shock protein 83-1	0.0032	0.1024	0.1769
Echinococcus granulosus	aldehyde reductase	0.0054	0.3427	0.3427
Echinococcus granulosus	aldo keto reductase	0.0077	0.5787	0.5787
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0032	0.1024	0.1264
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0066	0.4665	0.4665
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0077	0.5787	0.5787
Loa Loa (eye worm)	heat shock protein 90	0.0032	0.1024	0.1024
Echinococcus granulosus	PHD finger protein rhinoceros	0.0028	0.0647	0.0647
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0077	0.5787	0.5787
Trichomonas vaginalis	aldo-keto reductase, putative	0.0077	0.5787	1
Schistosoma mansoni	aldo-keto reductase	0.0077	0.5787	0.5787
Treponema pallidum	heat shock protein 90	0.0025	0.0335	0.5
Onchocerca volvulus		0.0077	0.5787	0.5787
Mycobacterium tuberculosis	Probable oxidoreductase	0.0077	0.5787	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0077	0.5787	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0032	0.1024	0.1769
Leishmania major	heat shock protein 83-1	0.0032	0.1024	0.1769
Leishmania major	heat shock protein 83-1	0.0032	0.1024	0.1769
Toxoplasma gondii	PHD-finger domain-containing protein	0.0028	0.0647	0.1118
Loa Loa (eye worm)	jmjC domain-containing protein	0.0058	0.3848	0.3848
Trypanosoma brucei	heat shock protein, putative	0.0032	0.1024	0.1769
Trypanosoma cruzi	heat shock protein 90, putative	0.0032	0.1024	0.1769
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.4665	0.8061
Trichomonas vaginalis	aldo-keto reductase, putative	0.0077	0.5787	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0034	0.1279	0.1279
Leishmania major	heat shock protein 83-1	0.0032	0.1024	0.1769
Echinococcus multilocularis	jumonji domain containing protein	0.0039	0.1824	0.1824
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0034	0.1279	0.1279
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0077	0.5787	0.5787
Brugia malayi	jmjC domain containing protein	0.0034	0.1279	0.1279
Onchocerca volvulus		0.0077	0.5787	0.5787
Loa Loa (eye worm)	oxidoreductase	0.0077	0.5787	0.5787
Mycobacterium ulcerans	oxidoreductase	0.0077	0.5787	1
Loa Loa (eye worm)	oxidoreductase	0.0077	0.5787	0.5787
Brugia malayi	Galactoside-binding lectin family protein	0.0116	1	1
Echinococcus granulosus	aldo keto reductase	0.0077	0.5787	0.5787
Loa Loa (eye worm)	hypothetical protein	0.0116	1	1
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0028	0.0647	0.0647
Plasmodium vivax	heat shock protein 86, putative	0.0032	0.1024	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0077	0.5787	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0034	0.1279	0.1279
Entamoeba histolytica	aldose reductase, putative	0.0077	0.5787	1
Loa Loa (eye worm)	galectin	0.0116	1	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.4665	0.8061
Mycobacterium ulcerans	heat shock protein 90	0.0025	0.0335	0.0578
Toxoplasma gondii	heat shock protein HSP90	0.0032	0.1024	0.1769
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0077	0.5787	0.5787
Trypanosoma brucei	heat shock protein, putative	0.0032	0.1024	0.1769
Trypanosoma brucei	heat shock protein 90, putative	0.0032	0.1024	0.1769
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0077	0.5787	0.5787
Trypanosoma brucei	heat shock protein, putative	0.0032	0.1024	0.1769
Trypanosoma cruzi	heat shock protein 85, putative	0.0032	0.1024	0.1769
Loa Loa (eye worm)	galectin	0.0116	1	1
Schistosoma mansoni	jumonji domain containing protein	0.0073	0.5463	0.5463
Trypanosoma cruzi	aldo/keto reductase, putative	0.0077	0.5787	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0077	0.5787	0.5787
Plasmodium falciparum	heat shock protein 90	0.0032	0.1024	1
Schistosoma mansoni	endoplasmin	0.0032	0.1024	0.1024
Onchocerca volvulus	Galectin homolog	0.0116	1	1
Trypanosoma brucei	heat shock protein, putative	0.0032	0.1024	0.1769
Trichomonas vaginalis	heat shock protein, putative	0.0032	0.1024	0.1769
Plasmodium falciparum	phd finger protein, putative	0.0028	0.0647	0.6318
Entamoeba histolytica	aldose reductase, putative	0.0077	0.5787	1
Loa Loa (eye worm)	hypothetical protein	0.0116	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0077	0.5787	0.5787
Trichomonas vaginalis	aldo-keto reductase, putative	0.0077	0.5787	1
Loa Loa (eye worm)	endoplasmin	0.0032	0.1024	0.1024
Giardia lamblia	PHD finger protein 15	0.0028	0.0647	0.0573
Trichomonas vaginalis	aldo/keto reductase, putative	0.0077	0.5787	1
Trichomonas vaginalis	heat shock protein, putative	0.0025	0.0335	0.0578
Echinococcus multilocularis	aldo keto reductase	0.0077	0.5787	0.5787
Trypanosoma cruzi	heat shock protein 90, putative	0.0025	0.0335	0.0578
Schistosoma mansoni	galectin	0.0116	1	1
Leishmania major	heat shock protein 83-1	0.0032	0.1024	0.1769
Brugia malayi	Bromodomain containing protein	0.0028	0.0647	0.0647
Entamoeba histolytica	heat shock protein 90, putative	0.0032	0.1024	0.1769
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0066	0.4665	0.4665
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0647	0.0647
Trichomonas vaginalis	aldo-keto reductase, putative	0.0077	0.5787	1
Echinococcus granulosus	hypothetical protein	0.0077	0.5787	0.5787
Loa Loa (eye worm)	galactoside-binding lectin family protein	0.0116	1	1
Plasmodium vivax	endoplasmin, putative	0.0032	0.1024	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0077	0.5787	1
Plasmodium vivax	hypothetical protein, conserved	0.0028	0.0647	0.6318
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0077	0.5787	0.5787
Trichomonas vaginalis	aldo-keto reductase, putative	0.0077	0.5787	1
Entamoeba histolytica	heat shock protein 90, putative	0.0032	0.1024	0.1769
Leishmania major	heat shock protein 83-1	0.0032	0.1024	0.1769
Loa Loa (eye worm)	PHD-finger family protein	0.0028	0.0647	0.0647
Echinococcus granulosus	peregrin	0.0028	0.0647	0.0647
Schistosoma mansoni	endoplasmin	0.0032	0.1024	0.1024
Trypanosoma brucei	aldo-keto reductase, putative	0.0077	0.5787	1
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0066	0.4665	0.4665
Leishmania major	aldo-keto reductase-like protein	0.0077	0.5787	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.77	Inhibition of aldose reductase (unknown origin)	LITERATURE.	No reference
IC50 (binding)	= 0.17 nM	Inhibition of aldose reductase (unknown origin)	LITERATURE.	No reference
IC50 (binding)	= 0.07 uM	Inhibition of bovine lens ALR2	ChEMBL.	21531055
IC50 (binding)	= 0.13 uM	Inhibition of aldose reductase (unknown origin)	ChEMBL.	25890697
IC50 (binding)	= 0.82 uM	Inhibition of aldose reductase	ChEMBL.	21129963

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: CHEMBL1645381

Bibliographic References

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1464621