TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 375.42 | Formula: C22H21N3O3
H donors: 1 H acceptors: 2 LogP: 3.1 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C1(C)CCN1Cc1cccc2c1OCO2)Nc1cccc2c1nccc2
InChi: 1S/C22H21N3O3/c1-22(21(26)24-17-8-2-5-15-7-4-11-23-19(15)17)10-12-25(22)13-16-6-3-9-18-20(16)28-14-27-18/h2-9,11H,10,12-14H2,1H3,(H,24,26)
InChiKey: JLQKFMPLPQIRRV-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	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania donovani	isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	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
Brugia malayi	Isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	isocitrate dehydrogenase	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
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	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
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Neospora caninum	Isocitrate dehydrogenase-like protein, related	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
Candida albicans	N terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Plasmodium berghei	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	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
Trypanosoma congolense	isocitrate dehydrogenase, putative	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 brucei	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	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
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei gambiense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei gambiense	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	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
Theileria parva	isocitrate dehydrogenase (NADP+), 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
Plasmodium knowlesi	isocitrate dehydrogenase [NADP], mitochondrial, putative	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 multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma japonicum	ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative	Get druggable targets OG5_127057	All targets in OG5_127057
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania infantum	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	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
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent, 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 mexicana	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	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	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	hypothetical protein	0.0128	0.3988	0.4274
Schistosoma mansoni	DNA polymerase IV / kappa	0.0013	0.0073	0.0079
Trypanosoma brucei	DNA polymerase kappa, putative	0.0028	0.0592	0.281
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.015	0.4705	0.5004
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0706	0.125
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.1016	0.511
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.1016	0.511
Echinococcus granulosus	dna polymerase kappa	0.004	0.1016	0.1798
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.004	0.1016	0.511
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.004	0.1016	0.1089
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0293	0.0519
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0019	0.0294	0.1197
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0293	0.0314
Trypanosoma brucei	unspecified product	0.0028	0.0592	0.281
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0073	0.0079
Schistosoma mansoni	hypothetical protein	0.0019	0.0293	0.0314
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.0667	0.1181
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0218	0.702	0.7524
Toxoplasma gondii	isocitrate dehydrogenase	0.0019	0.0294	0.3016
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.4524	0.4848
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0294	0.0521
Leishmania major	DNA polymerase eta, putative	0.0067	0.1918	1
Echinococcus multilocularis	bloom syndrome protein	0.0025	0.0499	0.0884
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0678	0.6953
Loa Loa (eye worm)	hypothetical protein	0.0127	0.3929	0.421
Onchocerca volvulus		0.0248	0.8038	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0028	0.0592	0.281
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0306	1	1
Trichomonas vaginalis	DNA helicase recq1, putative	0.0025	0.0499	0.04
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0678	0.3279
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0294	0.0521
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0019	0.0294	0.1197
Trypanosoma brucei	unspecified product	0.0028	0.0592	0.281
Loa Loa (eye worm)	hypothetical protein	0.003	0.0678	0.0727
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1685	0.1805
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1041	0.1115
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.1016	0.511
Brugia malayi	ImpB/MucB/SamB family protein	0.004	0.1016	0.1089
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0306	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.1016	0.511
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0293	0.0519
Echinococcus granulosus	GPCR family 2	0.0019	0.0293	0.0519
Loa Loa (eye worm)	glutaminase 2	0.0286	0.933	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.015	0.4705	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0306	1	1
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0293	0.0314
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0678	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.1016	0.511
Schistosoma mansoni	hypothetical protein	0.0177	0.565	0.6056
Brugia malayi	Isocitrate dehydrogenase	0.0019	0.0294	0.0315
Echinococcus granulosus	geminin	0.0177	0.565	1
Loa Loa (eye worm)	hypothetical protein	0.0128	0.3988	0.4274
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0017	0.0224	0.2379
Schistosoma mansoni	hypothetical protein	0.0019	0.0293	0.0314
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0013	0.0073	0.0751
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0706	0.0757
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0706	0.125
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0678	0.3279
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0019	0.0294	0.4337
Brugia malayi	isocitrate dehydrogenase	0.0019	0.0294	0.0315
Brugia malayi	Bloom's syndrome protein homolog	0.0025	0.0499	0.0535
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0293	0.0314
Brugia malayi	MH2 domain containing protein	0.0144	0.4524	0.4848
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.004	0.1016	0.1798
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.1016	0.511
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.1016	0.511
Brugia malayi	hypothetical protein	0.002	0.0313	0.0336
Giardia lamblia	DINP protein human, muc B family	0.004	0.1016	0.1016
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.004	0.1016	0.1089
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0678	1
Onchocerca volvulus	Huntingtin homolog	0.0128	0.3988	0.4476
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0306	1	1
Trichomonas vaginalis	set domain proteins, putative	0.0248	0.8038	0.8018
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0022	0.0396	0.5838
Loa Loa (eye worm)	hypothetical protein	0.0128	0.3988	0.4274
Loa Loa (eye worm)	hypothetical protein	0.0067	0.1918	0.2056
Trichomonas vaginalis	glutaminase, putative	0.0286	0.933	0.9323
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0293	0.0314
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.1016	0.511
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0306	1	1
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0013	0.0073	0.0751
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0019	0.0294	0.0521
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.00000000015983	0.0000000016385
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.1016	0.511
Toxoplasma gondii	isocitrate dehydrogenase	0.0019	0.0294	0.3016
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0103	0.0162
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0706	0.125
Leishmania major	hypothetical protein, conserved	0.003	0.0678	0.3279
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.1016	0.511
Brugia malayi	glutaminase DH11.1	0.0286	0.933	1
Plasmodium falciparum	DNA repair protein REV1, putative	0.0013	0.0073	0.1081
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0014	0.0111	0.0196
Echinococcus granulosus	dna polymerase eta	0.0067	0.1918	0.3395
Trypanosoma cruzi	DNA polymerase eta, putative	0.0039	0.0975	0.489
Treponema pallidum	fructose-bisphosphate aldolase	0.0306	1	0.5
Giardia lamblia	Fructose-bisphosphate aldolase	0.0306	1	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0067	0.1918	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0067	0.1918	0.2056
Entamoeba histolytica	deoxycytidyl transferase, putative	0.004	0.1016	0.0922
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0706	0.0757
Trypanosoma brucei	DNA polymerase eta, putative	0.0067	0.1918	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.004	0.1016	0.1636
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0706	0.0757
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.1016	0.511
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.1016	0.511
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0294	0.0521
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.1041	0.1115
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0019	0.0294	0.0315
Trichomonas vaginalis	DNA helicase recq, putative	0.0025	0.0499	0.04
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0293	0.0519
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.4524	0.4848
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0706	0.0757
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0306	1	1
Leishmania major	DNA polymerase kappa, putative	0.004	0.1016	0.511
Brugia malayi	polk-prov protein	0.0013	0.0073	0.0079
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.004	0.1016	0.1636
Brugia malayi	hypothetical protein	0.003	0.0678	0.0727
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0014	0.0111	0.0196
Mycobacterium ulcerans	DNA polymerase IV	0.004	0.1016	0.1018
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0706	0.0757
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0019	0.0294	0.1197
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0019	0.0294	0.0315
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0678	0.3279
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0103	0.0162
Echinococcus granulosus	bloom syndrome protein	0.0025	0.0499	0.0884
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.1016	0.511
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0103	0.0162
Schistosoma mansoni	terminal deoxycytidyl transferase	0.004	0.1016	0.1089
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0706	0.724
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.1016	0.511
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0019	0.0294	0.0521
Onchocerca volvulus	Huntingtin homolog	0.0128	0.3988	0.4476
Plasmodium vivax	SET domain protein, putative	0.0031	0.0706	1
Mycobacterium ulcerans	DNA polymerase IV	0.004	0.1016	0.1018
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0019	0.0294	0.1197
Echinococcus multilocularis	dna polymerase eta	0.0067	0.1918	0.3395
Schistosoma mansoni	blooms syndrome DNA helicase	0.002	0.032	0.0343
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0017	0.0217	0.2226
Leishmania major	DNA polymerase eta, putative	0.0039	0.0975	0.489
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1685	0.1805
Schistosoma mansoni	hypothetical protein	0.0019	0.0293	0.0314
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0306	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.1016	0.511
Brugia malayi	Pre-SET motif family protein	0.0218	0.702	0.7524
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0306	1	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.004	0.1016	0.0922
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.004	0.1016	0.1798
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0039	0.0975	1
Giardia lamblia	DNA damage repair protein	0.0013	0.0073	0.0073
Schistosoma mansoni	glutaminase	0.0286	0.933	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0019	0.0294	0.0521
Brugia malayi	Pre-SET motif family protein	0.0031	0.0706	0.0757
Loa Loa (eye worm)	glutaminase	0.0286	0.933	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0293	0.0519
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1685	0.1805
Schistosoma mansoni	hypothetical protein	0.0019	0.0293	0.0314
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.1016	0.511
Trypanosoma brucei	DNA polymerase kappa, putative	0.0028	0.0592	0.281
Loa Loa (eye worm)	hypothetical protein	0.006	0.1685	0.1805
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0293	0.0519
Schistosoma mansoni	hypothetical protein	0.0041	0.1041	0.1115
Echinococcus multilocularis	geminin	0.0177	0.565	1
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.015	0.4705	0.5
Schistosoma mansoni	hypothetical protein	0.0014	0.0111	0.0119
Echinococcus multilocularis	dna polymerase kappa	0.004	0.1016	0.1798
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0306	1	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.004	0.1016	0.0922
Schistosoma mansoni	DNA polymerase eta	0.0067	0.1918	0.2056
Trypanosoma brucei	unspecified product	0.004	0.1016	0.511
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0019	0.0294	0.3489
Mycobacterium ulcerans	glutaminase	0.0286	0.933	1
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0019	0.0294	0.1197
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0678	0.9558
Schistosoma mansoni	hypothetical protein	0.0177	0.565	0.6056
Loa Loa (eye worm)	RecQ helicase	0.0025	0.0499	0.0535
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.1016	0.511

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	4.4668 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	6.5131 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)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 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)	14.1254 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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: CHEMBL1896514

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1585066