TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 310.347 | Formula: C18H18N2O3
H donors: 2 H acceptors: 2 LogP: 3.49 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(c(c1)O)c1[nH]nc(c1c1ccccc1OC)C
InChi: 1S/C18H18N2O3/c1-11-17(14-6-4-5-7-16(14)23-3)18(20-19-11)13-9-8-12(22-2)10-15(13)21/h4-10,21H,1-3H3,(H,19,20)
InChiKey: RRNGOHJGOKLDDI-UHFFFAOYSA-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	isocitrate dehydrogenase 1 (NADP+), soluble	Starlite/ChEMBL	No references
Homo sapiens	Rap guanine nucleotide exchange factor (GEF) 3	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	growth factor, augmenter of liver regeneration	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania major	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Plasmodium knowlesi	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania braziliensis	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Theileria parva	isocitrate dehydrogenase (NADP+), putative	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	hypothetical protein	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
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	Augmenter of liver regeneration	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
Schistosoma japonicum	FAD-linked sulfhydryl oxidase ALR, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma brucei	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase	Get druggable targets OG5_127535	All targets in OG5_127535
Brugia malayi	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	Get druggable targets OG5_127535	All targets in OG5_127535
Schistosoma japonicum	ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Candida albicans	similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma brucei gambiense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	C terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	Isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania donovani	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Neospora caninum	hypothetical protein	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania donovani	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	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
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	Get druggable targets OG5_127057	All targets in OG5_127057
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	Get druggable targets OG5_131726	All targets in OG5_131726
Leishmania mexicana	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania mexicana	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Theileria parva	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	Get druggable targets OG5_127535	All targets in OG5_127535
Candida albicans	N terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania infantum	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Leishmania infantum	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Neospora caninum	hypothetical protein	Get druggable targets OG5_127535	All targets in OG5_127535
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium berghei	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Neospora caninum	Isocitrate dehydrogenase-like protein, related	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	Get druggable targets OG5_127535	All targets in OG5_127535
Plasmodium berghei	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	hepatopoietin HPO2	Get druggable targets OG5_127535	All targets in OG5_127535
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Babesia bovis	human hepatopoietin-like protein, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma brucei gambiense	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma congolense	ERV/ALR sulfhydryl oxidase domain-containing 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
Plasmodium knowlesi	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Babesia bovis	isocitrate dehydrogenase, NADP-dependent family protein	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131726	All targets in OG5_131726
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Candida albicans	cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_127535	All targets in OG5_127535
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma cruzi	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania braziliensis	hypothetical protein, conserved	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
Brugia malayi	N-terminal motif family protein	Get druggable targets OG5_131726	All targets in OG5_131726
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent	Get druggable targets OG5_127057	All targets in OG5_127057

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
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 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0446	0.3272	0.3272
Loa Loa (eye worm)	phosphatidylinositol 3	0.0088	0.053	0.053
Loa Loa (eye worm)	hypothetical protein	0.0088	0.053	0.053
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0088	0.053	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0253	0.1792	0.1792
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1323	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0088	0.053	0.0296
Echinococcus granulosus	geminin	0.0205	0.1423	0.1423
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0088	0.053	0.053
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0088	0.053	0.053
Brugia malayi	FAT domain containing protein	0.0193	0.1334	0.1334
Entamoeba histolytica	hypothetical protein	0.0088	0.053	0.0296
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0088	0.053	0.0296
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0098	0.0609	0.0377
Schistosoma mansoni	hypothetical protein	0.0205	0.1423	0.1423
Giardia lamblia	GTOR	0.1323	1	1
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0446	0.3272	0.3272
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0041	0.0172	0.0171
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0119	0.0769	0.0769
Trypanosoma brucei	protein kinase, putative	0.0051	0.0242	0.0241
Mycobacterium leprae	conserved hypothetical protein	0.0088	0.053	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0088	0.053	1
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0627	0.4664	0.4664
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0098	0.0609	0.0609
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0446	0.3272	0.3272
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0031	0.0092	0.0092
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0119	0.0769	0.054
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.1323	1	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0098	0.0609	0.0609
Loa Loa (eye worm)	phosphatidylinositol 3	0.0256	0.1819	0.1819
Schistosoma mansoni	hypothetical protein	0.0205	0.1423	0.1423
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0088	0.053	0.053
Loa Loa (eye worm)	hypothetical protein	0.006	0.0316	0.0316
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0041	0.0172	0.0171
Trypanosoma cruzi	target of rapamycin kinase 3	0.1054	0.7937	0.7937
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0098	0.0609	0.0377
Trichomonas vaginalis	PIKK family atypical protein kinase	0.086	0.6449	0.6361
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0715	0.5335	0.5219
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1323	1	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0119	0.0769	0.054
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0088	0.053	0.053
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0119	0.0769	0.0769
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0551	0.4082	0.4081
Echinococcus granulosus	serine protein kinase ATM	0.0253	0.1792	0.1792
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0985	0.7406	0.7342
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0088	0.053	0.8706
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.1054	0.7937	0.7937
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0316	0.0316
Leishmania major	hypothetical protein, unknown function	0.0088	0.053	0.053
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0253	0.1792	0.1792
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.1323	1	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0088	0.053	0.053
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0088	0.053	0.053
Loa Loa (eye worm)	hypothetical protein	0.0036	0.013	0.013
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0164	0.1115	0.0895
Echinococcus multilocularis	Zinc finger, PHD finger	0.0098	0.0609	0.0609
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0151	0.1014	0.1014
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.1323	1	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.013	0.0854	0.0628
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0784	0.5866	0.5764
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0088	0.053	0.0296
Plasmodium falciparum	glycogen synthase kinase 3	0.0051	0.0242	0.3964
Plasmodium vivax	hypothetical protein	0.0088	0.053	0.8706
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0716	0.5343	0.5228
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0051	0.0242	0.3964
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0187	0.1289	0.1074
Loa Loa (eye worm)	hypothetical protein	0.0193	0.1334	0.1334
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0792	0.5926	0.5825
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0253	0.1792	0.1792
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0098	0.0609	0.0609
Brugia malayi	N-terminal motif family protein	0.0218	0.1526	0.1526
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0187	0.1289	0.1289
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0088	0.053	0.053
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0187	0.1289	0.1289
Toxoplasma gondii	Erv1 / Alr family protein	0.0041	0.0172	0.0231
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0151	0.1014	0.1014
Brugia malayi	intracellular kinase	0.0051	0.0242	0.0242
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0088	0.053	0.0296
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0253	0.1792	0.1792
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0716	0.5343	0.5228
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0193	0.1334	0.1334
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.1323	1	1
Leishmania major	hypothetical protein, conserved	0.0041	0.0172	0.0171
Giardia lamblia	Hypothetical protein	0.0088	0.053	0.0296
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0985	0.7406	0.7342
Loa Loa (eye worm)	phosphatidylinositol 3	0.1323	1	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0253	0.1792	0.1791
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0051	0.0242	0.0241
Onchocerca volvulus		0.0088	0.053	0.2247
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0446	0.3272	0.3272
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0253	0.1792	0.1791
Leishmania major	phosphatidylinositol kinase, putative	0.0088	0.053	0.053
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0218	0.1526	1
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0051	0.0242	0.0242
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0041	0.0172	0.2816
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0098	0.0609	0.0609
Entamoeba histolytica	hypothetical protein	0.0088	0.053	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1014	0.1014
Loa Loa (eye worm)	hypothetical protein	0.0281	0.201	0.201
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0446	0.3272	0.3105
Echinococcus granulosus	protein kinase shaggy	0.0051	0.0242	0.0242
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0446	0.3272	0.3272
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0253	0.1792	0.1792
Loa Loa (eye worm)	hepatopoietin HPO2	0.0041	0.0172	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0269	0.1917	0.1917
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0119	0.0769	0.054
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0446	0.3272	0.3272
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0792	0.5926	0.5825
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0088	0.053	0.053
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0193	0.1334	0.1334
Trichomonas vaginalis	conserved hypothetical protein	0.0281	0.201	0.1813
Schistosoma mansoni	hypothetical protein	0.0041	0.017	0.017
Loa Loa (eye worm)	hypothetical protein	0.0218	0.1526	0.1526
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0088	0.053	0.8706
Entamoeba histolytica	hypothetical protein	0.0166	0.113	0.091
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0277	0.1979	0.1979
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0985	0.7406	0.7342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0784	0.5866	0.5764
Echinococcus multilocularis	geminin	0.0205	0.1423	0.1423
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0088	0.053	0.8706
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0253	0.1792	0.1588
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1053	0.7929	0.7877
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0098	0.0609	0.0609
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0119	0.0769	0.0769
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.1323	1	1
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0119	0.0769	0.0769
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0446	0.3272	0.3105
Trichomonas vaginalis	PIKK family atypical protein kinase	0.113	0.852	0.8483
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0098	0.0609	0.0377
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0098	0.0609	0.0822
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0051	0.0242	0.0242
Loa Loa (eye worm)	phosphatidylinositol 3	0.0088	0.053	0.053
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0098	0.0609	0.0609
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0187	0.1289	0.1074
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0088	0.053	0.053
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0446	0.3272	0.3272
Echinococcus multilocularis	serine protein kinase ATM	0.0253	0.1792	0.1792
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0088	0.053	0.8706
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0715	0.5335	0.5219
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0088	0.053	0.053
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0716	0.5343	0.5228
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1053	0.7929	0.7877
Loa Loa (eye worm)	phosphatidylinositol 3	0.0088	0.053	0.053
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0088	0.053	0.053
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0253	0.1792	0.1588
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0088	0.053	0.053
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0164	0.1115	0.1115
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0041	0.0172	0.0172
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0155	0.1044	0.0823
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0253	0.1792	0.1792
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0985	0.7406	0.7342
Trichomonas vaginalis	conserved hypothetical protein	0.0193	0.1334	0.112
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0119	0.0769	0.054
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.017	0.017
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.009	0.0543	0.0543
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0051	0.0242	0.0242
Echinococcus multilocularis	protein kinase shaggy	0.0051	0.0242	0.0242
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0166	0.113	0.091
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0253	0.1792	0.1588
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0277	0.1979	0.1979
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0098	0.0609	0.0377
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0041	0.0172	0.0171
Schistosoma mansoni	hypothetical protein	0.0193	0.1334	0.1334
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0088	0.053	0.0716
Loa Loa (eye worm)	hypothetical protein	0.0041	0.017	0.017
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0187	0.1289	0.1074
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0051	0.0242	0.0242
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0088	0.053	0.053
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0051	0.0242	0.0242
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.1323	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0357	0.2593	0.241
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0985	0.7406	1
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0088	0.053	0.053
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0088	0.053	0.053
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0985	0.7406	0.7342
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0088	0.053	0.053
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0098	0.0609	0.0609
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0098	0.0609	0.0822
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0098	0.0609	0.0609
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0985	0.7406	0.7342
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0088	0.053	0.053
Entamoeba histolytica	protein kinase rad3, putative	0.0253	0.1792	0.1588
Plasmodium vivax	hypothetical protein, conserved	0.0088	0.053	0.8706
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0985	0.7406	0.7342
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.7364	0.7364
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0088	0.053	0.053
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0281	0.201	0.2714
Entamoeba histolytica	hypothetical protein	0.0253	0.1792	0.1588
Leishmania major	hypothetical protein, conserved	0.0088	0.053	0.053
Loa Loa (eye worm)	phosphatidylinositol 3	0.0088	0.053	0.053
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0088	0.053	0.053
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0187	0.1289	0.1289
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0277	0.1979	0.1979
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0316	0.0316
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.1323	1	1
Echinococcus multilocularis		0.0088	0.053	0.053
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0088	0.053	0.053
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0098	0.0609	0.0609
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.1054	0.7937	0.7937
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0253	0.1792	0.1792
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0088	0.053	0.053
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0253	0.1792	0.1588
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0088	0.053	0.053
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1053	0.7929	0.7877
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0088	0.053	0.0716
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0109	0.069	0.046
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0316	0.0316
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0187	0.1289	0.1074
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0446	0.3272	0.3272
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1053	0.7929	0.7877
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0098	0.0609	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0446	0.3272	0.3105
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0051	0.0242	0.0241
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0155	0.1044	0.0823
Loa Loa (eye worm)	phosphatidylinositol 3	0.0031	0.0092	0.0092
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0098	0.0609	0.0609
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0446	0.3272	0.3105
Loa Loa (eye worm)	hypothetical protein	0.0164	0.1115	0.1115
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.1323	1	1
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0088	0.053	0.0716
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0051	0.0242	0.0326
Entamoeba histolytica	hypothetical protein	0.0088	0.053	0.0296
Loa Loa (eye worm)	phosphatidylinositol 3	0.0446	0.3272	0.3272
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0792	0.5926	0.5825
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.096	0.096
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.096	0.096
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.1323	1	1
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0151	0.1014	0.1014
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0446	0.3272	0.3272
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0041	0.0172	0.2816
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.1323	1	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.1323	1	1
Toxoplasma gondii	Erv1 / Alr family protein	0.0041	0.0172	0.0231
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0098	0.0609	0.0609
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0088	0.053	0.0296
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0888	0.6667	0.6585
Brugia malayi	Augmenter of liver regeneration	0.0041	0.0172	0.0172
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0098	0.0609	1
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0088	0.053	0.053
Schistosoma mansoni	hypothetical protein	0.0088	0.053	0.053
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0446	0.3272	0.3105
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0088	0.053	0.8706
Toxoplasma gondii	FATC domain-containing protein	0.0253	0.1792	0.2419
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0098	0.0609	0.0609
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0098	0.0609	0.0377
Brugia malayi	MH2 domain containing protein	0.0144	0.096	0.096
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1323	1	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0119	0.0769	0.054
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0446	0.3272	0.3272
Onchocerca volvulus		0.0088	0.053	0.2247
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0253	0.1792	0.1791
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0134	0.0885	0.0659
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0716	0.5343	0.5228
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0099	0.0613	0.0381
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0715	0.5335	0.5219
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1053	0.7929	0.7877
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0041	0.0172	0.0171
Trichomonas vaginalis	conserved hypothetical protein	0.0164	0.1115	0.0895
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0041	0.0172	0.0172

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (binding)	< 0.005 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)	1.8356 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 8.9125 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	9.1962 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
Potency (functional)	9.285 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)	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)	12.5893 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	16.3601 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)	= 22.3872 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	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: CHEMBL1484323

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1339199