TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 300.74 | Formula: C16H13ClN2O2
H donors: 2 H acceptors: 2 LogP: 3.75 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(c(c1)O)c1[nH]ncc1c1ccc(cc1)Cl
InChi: 1S/C16H13ClN2O2/c1-21-12-6-7-13(15(20)8-12)16-14(9-18-19-16)10-2-4-11(17)5-3-10/h2-9,20H,1H3,(H,18,19)
InChiKey: KSGVQCLVXCCSCL-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	microtubule-associated protein tau	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	isocitrate dehydrogenase 1 (NADP+), soluble	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	synuclein, alpha (non A4 component of amyloid precursor)	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	arachidonate 15-lipoxygenase	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	neuropeptide S receptor 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	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 brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Plasmodium berghei	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
Leishmania mexicana	isocitrate dehydrogenase [NADP], mitochondrial precursor, 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	C terminus of cytosolic NADP-specific isocitrate dehydrogenase.	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
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Trypanosoma brucei gambiense	isocitrate dehydrogenase, 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
Schistosoma japonicum	ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], 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 mansoni	NADP-specific 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
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
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
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Leishmania infantum	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 cruzi	isocitrate dehydrogenase, 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
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent	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
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent, putative	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
Echinococcus granulosus	NADP dependent 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
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
Toxoplasma gondii	isocitrate dehydrogenase	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
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Get druggable targets OG5_136011	All targets in OG5_136011
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	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 granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Brugia malayi	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
Candida albicans	N terminus of cytosolic NADP-specific 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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	arachidonate 5 lipoxygenase	arachidonate 15-lipoxygenase	662 aa	590 aa	23.9 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
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 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0049	0.0188
Echinococcus multilocularis	RUN	0.0024	0.0006	0.0006
Trichomonas vaginalis	conserved hypothetical protein	0.0823	0.0957	1
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0054	0.0041	1
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.0969	0.3713
Schistosoma mansoni	polycystin 1-related	0.0024	0.0006	0.0022
Schistosoma mansoni	hypothetical protein	0.0024	0.0006	0.0022
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.0969	0.0969
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0000037079	0.0000037079
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0026	0.0101
Plasmodium falciparum	LCCL domain-containing protein	0.0024	0.0006	0.1359
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0823	0.0957	0.0957
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0149	0.057
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0049	0.0188
Schistosoma mansoni	regulator of G protein signaling	0.0823	0.0957	0.3667
Schistosoma mansoni	lipoxygenase	0.0024	0.0006	0.0022
Trichomonas vaginalis	conserved hypothetical protein	0.0823	0.0957	1
Brugia malayi	hypothetical protein	0.0024	0.0006	0.0022
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0024	0.0006	0.0006
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0823	0.0957	0.3667
Schistosoma mansoni	hypothetical protein	0.0205	0.0221	0.0846
Schistosoma mansoni	loxhd1	0.0024	0.0006	0.0022
Onchocerca volvulus		0.0054	0.0041	1
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0824	0.0958	0.3669
Echinococcus granulosus	protein kinase shaggy	0.0054	0.0041	0.0041
Loa Loa (eye worm)	RGS-3 protein	0.0823	0.0957	0.3667
Plasmodium vivax	multidomain scavenger receptor, putative	0.0024	0.0006	0.1359
Schistosoma mansoni	regulator of G protein signaling	0.0823	0.0957	0.3667
Brugia malayi	hypothetical protein	0.0823	0.0957	0.3667
Echinococcus multilocularis	protein kinase shaggy	0.0054	0.0041	0.0041
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0054	0.0041	1
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.0969	0.0969
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0067	0.0057	0.0057
Echinococcus granulosus	neuropeptide s receptor	0.0558	0.0642	0.0642
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0823	0.0957	0.3667
Echinococcus granulosus	Regulator of G protein signaling 20	0.0823	0.0957	0.0957
Brugia malayi	Doublecortin family protein	0.0024	0.0006	0.0022
Schistosoma mansoni	rab6-interacting	0.0024	0.0006	0.0022
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0823	0.0957	0.3667
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0824	0.0958	0.3669
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0000037079	0.0000037079
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0823	0.0957	1
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0054	0.0041	0.0041
Echinococcus granulosus	geminin	0.0205	0.0221	0.0221
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0026	0.0101
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0019	0.0000037079	0.0000037079
Echinococcus granulosus	neuropeptide receptor A26	0.0558	0.0642	0.0642
Trichomonas vaginalis	conserved hypothetical protein	0.0823	0.0957	1
Schistosoma mansoni	hypothetical protein	0.0205	0.0221	0.0846
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0054	0.0041	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0026	0.0101
Schistosoma mansoni	lipoxygenase	0.0067	0.0057	0.0217
Brugia malayi	hypothetical protein	0.0823	0.0957	0.3667
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0054	0.0041	0.0159
Echinococcus multilocularis	regulator of G protein signaling 3	0.2212	0.261	0.261
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0824	0.0958	0.0958
Plasmodium falciparum	glycogen synthase kinase 3	0.0054	0.0041	1
Echinococcus multilocularis	neuropeptide s receptor	0.0558	0.0642	0.0642
Echinococcus multilocularis	regulator of G protein signaling 7	0.0823	0.0957	0.0957
Schistosoma mansoni	z-protein (S1r protein)	0.0823	0.0957	0.3667
Brugia malayi	hypothetical protein	0.0024	0.0006	0.0022
Echinococcus granulosus	axis inhibition protein axin	0.0823	0.0957	0.0957
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0067	0.0057	0.0057
Schistosoma mansoni	regulator of G protein signaling	0.2212	0.261	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0019	0.0000037079	0.0000037079
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0024	0.0006	0.0006
Schistosoma mansoni	axis inhibition protein axin	0.0823	0.0957	0.3667
Echinococcus multilocularis	axis inhibition protein axin	0.0823	0.0957	0.0957
Brugia malayi	A-kinase anchor protein 10, precursor	0.0823	0.0957	0.3667
Echinococcus multilocularis	regulator of G protein signaling 7	0.0823	0.0957	0.0957
Echinococcus granulosus	Polycystic kidney disease protein	0.0024	0.0006	0.0006
Entamoeba histolytica	hypothetical protein	0.0823	0.0957	1
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0824	0.0958	0.3669
Loa Loa (eye worm)	PXA domain-containing protein	0.0823	0.0957	0.3667
Schistosoma mansoni	regulator of G protein signaling	0.0823	0.0957	0.3667
Brugia malayi	PXA domain containing protein	0.0823	0.0957	0.3667
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0823	0.0957	0.3667
Loa Loa (eye worm)	hypothetical protein	0.0823	0.0957	0.3667
Trichomonas vaginalis	conserved hypothetical protein	0.0823	0.0957	1
Schistosoma mansoni	serine/threonine protein kinase	0.0824	0.0958	0.3669
Trichomonas vaginalis	conserved hypothetical protein	0.0823	0.0957	1
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0823	0.0957	0.3667
Echinococcus multilocularis	expressed protein	0.8422	1	1
Schistosoma mansoni	axis inhibition protein axin	0.0823	0.0957	0.3667
Loa Loa (eye worm)	hypothetical protein	0.006	0.0049	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0823	0.0957	0.3667
Echinococcus multilocularis	Polycystic kidney disease protein	0.0024	0.0006	0.0006
Echinococcus granulosus	lipoxygenase domain containing protein	0.0024	0.0006	0.0006
Echinococcus multilocularis	geminin	0.0205	0.0221	0.0221
Trypanosoma brucei	protein kinase, putative	0.0054	0.0041	1
Loa Loa (eye worm)	hypothetical protein	0.0823	0.0957	0.3667
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0019	0.0000037079	0.5
Echinococcus granulosus	lipoxygenase domain containing protein	0.0024	0.0006	0.0006
Echinococcus multilocularis	neuropeptide receptor A26	0.0558	0.0642	0.0642
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0149	0.057
Loa Loa (eye worm)	hypothetical protein	0.0823	0.0957	0.3667
Echinococcus granulosus	RUN	0.0024	0.0006	0.0006
Brugia malayi	intracellular kinase	0.0054	0.0041	0.0159
Loa Loa (eye worm)	doublecortin family protein	0.0024	0.0006	0.0022
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0823	0.0957	0.0957
Echinococcus multilocularis	regulator of G protein signaling 3	0.2212	0.261	0.261
Brugia malayi	regulator of G-protein signaling rgs-7	0.2212	0.261	1
Loa Loa (eye worm)	hypothetical protein	0.2212	0.261	1
Schistosoma mansoni	serine/threonine protein kinase	0.0824	0.0958	0.3669
Echinococcus granulosus	regulator of G protein signaling 3	0.2212	0.261	0.261
Giardia lamblia	Kinase, CMGC GSK	0.0054	0.0041	0.5
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0006	0.0022
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0000037079	0.0000037079
Giardia lamblia	Kinase, CMGC GSK	0.0054	0.0041	0.5
Brugia malayi	regulator of G-protein signaling egl-10	0.0823	0.0957	0.3667
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0054	0.0041	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0823	0.0957	0.3667
Schistosoma mansoni	regulator of G protein signaling	0.2212	0.261	1
Entamoeba histolytica	hypothetical protein	0.0823	0.0957	1
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0823	0.0957	0.3667
Echinococcus multilocularis	regulator of G protein signaling	0.2212	0.261	0.261
Entamoeba histolytica	hypothetical protein	0.0823	0.0957	1
Echinococcus multilocularis	axis inhibition protein axin	0.0823	0.0957	0.0957
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0054	0.0041	0.0159
Echinococcus granulosus	axis inhibition protein axin	0.0823	0.0957	0.0957
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0049	0.0188
Trichomonas vaginalis	conserved hypothetical protein	0.0823	0.0957	1
Brugia malayi	MH2 domain containing protein	0.0144	0.0149	0.057
Brugia malayi	PXA domain containing protein	0.0823	0.0957	0.3667
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0019	0.0000037079	0.0000037079
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0054	0.0041	0.0159
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0824	0.0958	0.0958
Schistosoma mansoni	serine/threonine protein kinase	0.0824	0.0958	0.3669
Echinococcus granulosus	regulator of G protein signaling 3	0.2212	0.261	0.261
Echinococcus granulosus	regulator of G protein signaling 7	0.0823	0.0957	0.0957
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0054	0.0041	1
Echinococcus granulosus	regulator of G protein signaling 7	0.0823	0.0957	0.0957
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0823	0.0957	0.0957
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0006	0.0022
Schistosoma mansoni	rab6-interacting	0.0024	0.0006	0.0022

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 2.2387 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	4.1475 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)	6.81 uM	PUBCHEM_BIOASSAY: Inhibitors of 12-hLO (12-human lipoxygenase): 15hLO-1 Cuvette-Based Inhibition Counterscreen Assay for 12hLO Follow up Compounds. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1452, AID2162, AID2163, AID2164, AID2584]	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)	10 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)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.581 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)	= 15.8489 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 (functional)	16.3601 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)	23.1093 uM	PubChem BioAssay. qHTS for Inhibitors of TGF-b: Confirmation of Cherry Picks. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 12-hLO (12-human lipoxygenase). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.57 uM	PUBCHEM_BIOASSAY: Inhibitors of 12-hLO (12-human lipoxygenase): Cuvette-Based Hit Assay for Validation of Follow up Compounds. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1452, AID2162, AID2163, AID2164, AID2584]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. qHTS for Inhibitors of TGF-b: CCL64 Cells Orthogonal Assay for Cherry Picks. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 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)	31.6228 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 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 (binding)	= 56.2341 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	63.0957 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

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External resources for this compound

ChEMBL: CHEMBL1536840

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1386806