TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 350.375 | Formula: C18H18N6O2
H donors: 2 H acceptors: 4 LogP: 0.11 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cccnc1)N/N=C/1\CC/C(=N\NC(=O)c2cccnc2)/CC1
InChi: 1S/C18H18N6O2/c25-17(13-3-1-9-19-11-13)23-21-15-5-7-16(8-6-15)22-24-18(26)14-4-2-10-20-12-14/h1-4,9-12H,5-8H2,(H,23,25)(H,24,26)/b21-15-,22-16-
InChiKey: PMYDHIFTCQGYJB-BMJUYKDLSA-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	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	growth factor, augmenter of liver regeneration	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, alpha	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references
Giardia intestinalis	Putative fructose-1,6-bisphosphate aldolase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Lysosomal alpha-glucosidase precursor, putative	Get druggable targets OG5_127055	All targets in OG5_127055
Theileria parva	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Onchocerca volvulus		Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127535	All targets in OG5_127535
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Leishmania mexicana	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_127535	All targets in OG5_127535
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	Get druggable targets OG5_127535	All targets in OG5_127535
Schistosoma japonicum	FAD-linked sulfhydryl oxidase ALR, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Babesia bovis	human hepatopoietin-like protein, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma brucei gambiense	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Giardia lamblia	Fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Brugia malayi	Glycosyl hydrolases family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Leishmania major	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Neospora caninum	hypothetical protein	Get druggable targets OG5_127535	All targets in OG5_127535
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	Get druggable targets OG5_127535	All targets in OG5_127535
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Loa Loa (eye worm)	hepatopoietin HPO2	Get druggable targets OG5_127535	All targets in OG5_127535
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Brugia malayi	Augmenter of liver regeneration	Get druggable targets OG5_127535	All targets in OG5_127535
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase	Get druggable targets OG5_127535	All targets in OG5_127535
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	Get druggable targets OG5_127535	All targets in OG5_127535
Treponema pallidum	fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus granulosus	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Leishmania donovani	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Plasmodium berghei	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Leishmania braziliensis	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Toxoplasma gondii	Erv1 / Alr family protein	Get druggable targets OG5_127535	All targets in OG5_127535
Toxoplasma gondii	Erv1 / Alr family protein	Get druggable targets OG5_127535	All targets in OG5_127535
Candida albicans	similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase	Get druggable targets OG5_127535	All targets in OG5_127535
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	Get druggable targets OG5_127535	All targets in OG5_127535
Schistosoma japonicum	ko:K01187 alpha-glucosidase [EC3.2.1.20], putative	Get druggable targets OG5_127055	All targets in OG5_127055
Trypanosoma congolense	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Plasmodium knowlesi	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Leishmania infantum	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma congolense	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.5 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %
Mycobacterium ulcerans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	26.9 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0072	0.047	0.047
Trichomonas vaginalis	CMGC family protein kinase	0.0519	0.6326	1
Loa Loa (eye worm)	hypothetical protein	0.0635	0.7839	0.7839
Toxoplasma gondii	Erv1 / Alr family protein	0.0041	0.007	0.0111
Brugia malayi	calpain family protein 1	0.0635	0.7839	0.7839
Schistosoma mansoni	hypothetical protein	0.0072	0.047	0.047
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.3274	0.5098
Trichomonas vaginalis	calpain, putative	0.0072	0.047	0.0596
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.0403
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0239	0.2663	0.2611
Loa Loa (eye worm)	hypothetical protein	0.0563	0.6896	0.6896
Echinococcus multilocularis	protein kinase shaggy	0.0519	0.6326	0.6326
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0239	0.2663	0.2611
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0635	0.7839	0.7839
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0072	0.047	0.0596
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0519	0.6326	0.6326
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.064
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.415	0.6505
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0519	0.6326	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.0403
Echinococcus granulosus	protein kinase shaggy	0.0519	0.6326	0.6326
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0239	0.2663	0.2611
Echinococcus granulosus	cathepsin b	0.08	1	1
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.064
Echinococcus granulosus	calpain 7 C02 family	0.0239	0.2663	0.2663
Onchocerca volvulus		0.0519	0.6326	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.415	0.6505
Echinococcus multilocularis	calpain A	0.0663	0.8215	0.8215
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.415	0.6505
Schistosoma mansoni	calpain-7 (C02 family)	0.0239	0.2663	0.2663
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0316	0.0316
Loa Loa (eye worm)	calpain 5	0.0167	0.1721	0.1721
Treponema pallidum	fructose-bisphosphate aldolase	0.0353	0.415	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.415	0.6505
Trypanosoma brucei	calpain, putative	0.0072	0.047	0.064
Trypanosoma brucei	Calpain-like protein 1.2	0.0072	0.047	0.064
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0072	0.047	0.0596
Leishmania major	calpain family cysteine protease-like protein	0.0072	0.047	0.064
Trypanosoma brucei	kinesin, putative	0.0167	0.1721	0.2638
Trypanosoma brucei	glucosamine 6-phosphate n-acetyltransferase	0.0072	0.047	0.064
Schistosoma mansoni	calpain-2 (C02 family)	0.0072	0.047	0.047
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.415	0.6505
Schistosoma mansoni	calpain-7 (C02 family)	0.0239	0.2663	0.2663
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0519	0.6326	0.63
Trypanosoma brucei	cytoskeleton-associated protein CAP5.5, putative	0.0072	0.047	0.064
Loa Loa (eye worm)	hypothetical protein	0.08	1	1
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0072	0.047	0.0596
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.415	0.6505
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0044	0.01	0.01
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0239	0.2663	0.4145
Echinococcus multilocularis	cathepsin b	0.08	1	1
Plasmodium falciparum	calpain	0.0072	0.047	0.064
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0395	0.4704	0.4704
Trypanosoma cruzi	kinesin, putative	0.0167	0.1721	0.1662
Trypanosoma cruzi	conserved protein	0.0072	0.047	0.0403
Echinococcus granulosus	calpain	0.0239	0.2663	0.2663
Entamoeba histolytica	protein kinase domain containing protein	0.0519	0.6326	1
Trypanosoma cruzi	kinesin, putative	0.0167	0.1721	0.1662
Loa Loa (eye worm)	hepatopoietin HPO2	0.0041	0.007	0.007
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.2104	0.2104
Trypanosoma brucei	protein kinase, putative	0.0519	0.6326	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0264	0.2984	0.4632
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0044	0.01	0.01
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.064
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0072	0.047	0.0403
Giardia lamblia	Kinase, CMGC GSK	0.0519	0.6326	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.08	1	1
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0072	0.047	0.0596
Echinococcus multilocularis	calpain	0.0239	0.2663	0.2663
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0072	0.047	0.0596
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0172	0.1786	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0239	0.2663	0.4145
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.08	1	1
Leishmania major	alpha glucosidase II subunit, putative	0.0044	0.01	0.0047
Trypanosoma cruzi	cytoskeleton-associated protein CAP5.5, putative	0.0072	0.047	0.0403
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0072	0.047	0.0403
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0316	0.0316
Entamoeba histolytica	calpain family cysteine protease, putative	0.0072	0.047	0.0596
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.415	0.6505
Schistosoma mansoni	Mername-AA248 (C02 family)	0.0239	0.2663	0.2663
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.0403
Plasmodium vivax	calpain, putative	0.0239	0.2663	0.421
Echinococcus multilocularis	calpain 5	0.0239	0.2663	0.2663
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0519	0.6326	0.6326
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.064
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0072	0.047	0.0596
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0072	0.047	0.0403
Entamoeba histolytica	protein kinase, putative	0.0172	0.1786	0.2708
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0072	0.047	0.0403
Loa Loa (eye worm)	calpain D	0.0072	0.047	0.047
Brugia malayi	calpain 5	0.0167	0.1721	0.1721
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0519	0.6326	1
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0663	0.8215	0.8215
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0663	0.8215	0.8215
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0239	0.2663	0.2611
Echinococcus multilocularis	hypothetical protein	0.0239	0.2663	0.2663
Brugia malayi	calpain 5	0.0072	0.047	0.047
Entamoeba histolytica	protein kinase domain containing protein	0.0519	0.6326	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0072	0.047	0.0403
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.01	0.0029
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.01	0.0029
Toxoplasma gondii	calpain family cysteine protease domain-containing protein	0.0072	0.047	0.0744
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.064
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0663	0.8215	0.8215
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0316	0.0316
Trichomonas vaginalis	calpain, putative	0.0072	0.047	0.0596
Trichomonas vaginalis	hypothetical protein	0.0072	0.047	0.0596
Trypanosoma brucei	hypothetical protein	0.0072	0.047	0.064
Toxoplasma gondii	Erv1 / Alr family protein	0.0041	0.007	0.0111
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.2104	0.2104
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0197	0.2104	0.2104
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.415	0.6505
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0239	0.2663	0.2611
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.064
Trypanosoma cruzi	cytoskeleton-associated protein CAP5.5, putative	0.0072	0.047	0.0403
Trypanosoma cruzi	cytoskeleton-associated protein CAP5.5, putative	0.0072	0.047	0.0403
Schistosoma mansoni	hypothetical protein	0.0041	0.0067	0.0067
Schistosoma mansoni	hypothetical protein	0.0205	0.2207	0.2207
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0172	0.1786	0.5
Onchocerca volvulus		0.0395	0.4704	0.7436
Toxoplasma gondii	hypothetical protein	0.0072	0.047	0.0744
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0239	0.2663	0.2611
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0044	0.01	0.01
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.064
Echinococcus granulosus	lysosomal alpha glucosidase	0.0197	0.2104	0.2104
Leishmania major	kinesin, putative	0.0167	0.1721	0.2638
Brugia malayi	calpain family protein 1	0.0635	0.7839	0.7839
Schistosoma mansoni	hypothetical protein	0.0205	0.2207	0.2207
Leishmania major	hypothetical protein, conserved	0.0072	0.047	0.064
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.0403
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0239	0.2663	0.2611
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0264	0.2984	0.2934
Trichomonas vaginalis	calpain, putative	0.0072	0.047	0.0596
Onchocerca volvulus		0.0114	0.1018	0.1609
Trypanosoma brucei	Calpain-like protein 2	0.0072	0.047	0.064
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0264	0.2984	0.4657
Echinococcus granulosus	calpain A	0.0239	0.2663	0.2663
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0239	0.2663	0.2611
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.064
Echinococcus multilocularis	calpain 7 (C02 family)	0.0239	0.2663	0.2663
Echinococcus granulosus	geminin	0.0205	0.2207	0.2207
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.0403
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0239	0.2663	0.4145
Trypanosoma brucei	calpain-like protein, putative	0.0239	0.2663	0.4145
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0072	0.047	0.0403
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0239	0.2663	0.2611
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0264	0.2984	0.4657
Trypanosoma brucei	calpain-like protein, putative	0.0239	0.2663	0.4145
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.064
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0519	0.6326	0.6326
Loa Loa (eye worm)	calpain family protein 1	0.0467	0.5646	0.5646
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0072	0.047	0.064
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0197	0.2104	0.2104
Trypanosoma brucei	antigen, putative	0.0239	0.2663	0.4145
Entamoeba histolytica	protein kinase, putative	0.0519	0.6326	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.064
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.08	1	1
Onchocerca volvulus		0.0286	0.3274	0.5175
Schistosoma mansoni	alpha-glucosidase	0.0169	0.1746	0.1746
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.064
Trypanosoma brucei	glucosidase, putative	0.0044	0.01	0.0047
Trichomonas vaginalis	conserved hypothetical protein	0.0072	0.047	0.0596
Giardia lamblia	Kinase, CMGC GSK	0.0519	0.6326	1
Echinococcus multilocularis	geminin	0.0205	0.2207	0.2207
Giardia lamblia	Fructose-bisphosphate aldolase	0.0353	0.415	0.3489
Leishmania major	calpain-like protein, putative,cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.064
Trypanosoma brucei	cysteine peptidase, putative	0.0072	0.047	0.064
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.415	0.6505
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0044	0.01	0.0158
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0663	0.8215	0.8215
Schistosoma mansoni	calpain (C02 family)	0.0239	0.2663	0.2663
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.006	0.0316	0.0316
Schistosoma mansoni	alpha-glucosidase	0.0169	0.1746	0.1746
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.08	1	1
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.064
Leishmania major	hypothetical protein, unknown function	0.0072	0.047	0.064
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.2819	0.2819
Trypanosoma brucei	calpain, putative	0.0072	0.047	0.064
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0041	0.007	0.007
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.064
Trypanosoma brucei	calpain-like protein, putative	0.0239	0.2663	0.4145
Echinococcus multilocularis	cathepsin b	0.08	1	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.0403
Brugia malayi	calpain D	0.0072	0.047	0.047
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.064
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0264	0.2984	0.2984
Brugia malayi	calpain 7	0.0239	0.2663	0.2663
Loa Loa (eye worm)	calpain family protein 1	0.0635	0.7839	0.7839
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0239	0.2663	0.2611
Leishmania major	cytoskeleton-associated protein CAP5.5, putative,cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.064
Trypanosoma brucei	Calpain-like protein 1.1	0.0072	0.047	0.064
Trypanosoma brucei	calpain-like protein, putative	0.0239	0.2663	0.4145
Loa Loa (eye worm)	calpain	0.0239	0.2663	0.2663
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.064
Brugia malayi	Pre-SET motif family protein	0.0251	0.2819	0.2819
Brugia malayi	Augmenter of liver regeneration	0.0041	0.007	0.007
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0172	0.1786	0.5
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0519	0.6326	0.6326
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.0239	0.2663	0.4145
Leishmania major	calpain protease-like protein	0.0072	0.047	0.064
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.0403
Trichomonas vaginalis	CMGC family protein kinase	0.0519	0.6326	1
Toxoplasma gondii	cathepsin B	0.0264	0.2984	0.4717
Echinococcus granulosus	calpain 5	0.0239	0.2663	0.2663
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.064
Plasmodium falciparum	glycogen synthase kinase 3	0.0519	0.6326	1
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0519	0.6326	1
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0519	0.6326	0.6326
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.415	0.6505
Trypanosoma brucei	Calpain-like protein CALP1.3	0.0072	0.047	0.064
Echinococcus multilocularis	calpain family protein 1, d	0.0467	0.5646	0.5646
Entamoeba histolytica	calpain large subunit domain III containing protein	0.0167	0.1721	0.2603
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.0403
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0041	0.007	0.007
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0072	0.047	0.064
Echinococcus granulosus	calpain A	0.0663	0.8215	0.8215
Schistosoma mansoni	alpha glucosidase	0.0044	0.01	0.01
Brugia malayi	intracellular kinase	0.0519	0.6326	0.6326
Loa Loa (eye worm)	hypothetical protein	0.0467	0.5646	0.5646
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0239	0.2663	0.4145
Loa Loa (eye worm)	cathepsin B	0.0264	0.2984	0.2984
Schistosoma mansoni	calpain C (C02 family)	0.0239	0.2663	0.2663
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.08	1	1
Echinococcus granulosus	cathepsin b	0.08	1	1
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0041	0.007	0.0111
Echinococcus granulosus	neutral alpha glucosidase AB	0.0044	0.01	0.01
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0072	0.047	0.0403

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (binding)	= 0.879 uM	PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787]	ChEMBL.	No reference
Potency (functional)	0.5805 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 17.7407 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (binding)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference

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: CHEMBL1508164

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1375855