TDR Targets

Basic information

Technical information

TDR Targets ID: 1252383
Name: 6,7-dimethoxy-3-(1,2,4-triazol-1-ylamino)-3H- 2-benzofuran-1-one
MW: 276.248 | Formula: C12H12N4O4
H donors: 1 H acceptors: 3 LogP: 1.62 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1c2C(=O)OC(c2ccc1OC)Nn1cncn1
InChi: 1S/C12H12N4O4/c1-18-8-4-3-7-9(10(8)19-2)12(17)20-11(7)15-16-6-13-5-14-16/h3-6,11,15H,1-2H3
InChiKey: KWJREZUZKBYNBN-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

6,7-dimethoxy-3-(1,2,4-triazol-1-ylamino)-3H-isobenzofuran-1-one
SMR000044352
MLS000039899
STOCK4S-38303
Oprea1_108000

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	huntingtin	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	glutaminase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Loa Loa (eye worm)	glutaminase 2	Get druggable targets OG5_129245	All targets in OG5_129245
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Mycobacterium ulcerans	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	glutaminase DH11.1	Get druggable targets OG5_129245	All targets in OG5_129245
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
Brugia malayi	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Trichomonas vaginalis	glutaminase, putative	Get druggable targets OG5_129245	All targets in OG5_129245
Loa Loa (eye worm)	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	beta-lactamase	0.0035	0.0268	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0452	1	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.0274	0.0375
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0158	0.3144	0.9408
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0268	0.0577
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0268	0.0367
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0268	0.0263
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0268	0.0577
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0274	0.0375
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0268	0.0367
Entamoeba histolytica	hypothetical protein	0.0035	0.0268	0.9184
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0268	1
Toxoplasma gondii	ABC1 family protein	0.0035	0.0268	0.9205
Brugia malayi	beta-lactamase family protein	0.0035	0.0268	0.0263
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0134	0.259	0.3613
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0268	0.0788
Brugia malayi	hypothetical protein	0.0035	0.0268	0.0262
Plasmodium falciparum	sphingomyelin synthase 1, putative	0.0024	0.0005	1
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.0291	0.0407
Entamoeba histolytica	hypothetical protein	0.0024	0.0005	0.0185
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0035	0.0274	0.0804
Echinococcus granulosus	lamin dm0	0.0027	0.0084	0.0234
Echinococcus granulosus	tar DNA binding protein	0.0061	0.0886	0.2639
Mycobacterium ulcerans	glutaminase	0.033	0.7158	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.0158	0.3144	0.9408
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0268	0.0367
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0035	0.0274	0.0375
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0268	0.0263
Plasmodium falciparum	sphingomyelin synthase 1, putative	0.0024	0.0005	1
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.0291	0.04
Schistosoma mansoni	lamin	0.0027	0.0084	0.0109
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0134	0.259	0.7747
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.0886	0.0881
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0134	0.259	0.7747
Trichomonas vaginalis	conserved hypothetical protein	0.0167	0.3361	0.4692
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0268	0.0263
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0274	0.0375
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0134	0.259	0.3613
Echinococcus multilocularis	musashi	0.0027	0.0084	0.0234
Entamoeba histolytica	hypothetical protein	0.0035	0.0268	0.9184
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0268	0.0577
Brugia malayi	Inositol-1	0.0036	0.0291	0.0286
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0268	0.0786
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0268	0.0375
Echinococcus multilocularis	lamin dm0	0.0027	0.0084	0.0234
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0291	1
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0268	0.0577
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.0274	0.9392
Toxoplasma gondii	hypothetical protein	0.0024	0.0005	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0083	0.1393	0.1388
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0291	0.0857
Trichomonas vaginalis	glutaminase, putative	0.033	0.7158	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0158	0.3144	0.9408
Brugia malayi	Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog	0.0172	0.3471	0.3468
Loa Loa (eye worm)	glutaminase 2	0.033	0.7158	0.7156
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0291	1
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0035	0.0274	0.9392
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0268	0.0577
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0617	0.0612
Trypanosoma brucei	ceramide phosphorylethanolamine synthase	0.0024	0.0005	0.0185
Schistosoma mansoni	hypothetical protein	0.0167	0.3341	0.4664
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0886	0.1231
Schistosoma mansoni	alpha-glucosidase	0.0136	0.263	0.367
Mycobacterium ulcerans	lipase LipD	0.0035	0.0268	0.0375
Onchocerca volvulus		0.0091	0.1589	0.5331
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0072	0.0067
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0084	0.0109
Onchocerca volvulus		0.0083	0.1393	0.4636
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0084	0.0078
Onchocerca volvulus		0.0035	0.0268	0.0654
Loa Loa (eye worm)	hypothetical protein	0.005	0.0617	0.0612
Brugia malayi	TAR-binding protein	0.0061	0.0886	0.0881
Schistosoma mansoni	lamin	0.0027	0.0084	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0084	0.0078
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0268	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0268	0.0263
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0617	0.0612
Brugia malayi	glutaminase DH11.1	0.033	0.7158	0.7156
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0158	0.3144	0.314
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0291	1
Brugia malayi	RNA binding protein	0.0061	0.0886	0.0881
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.0291	1
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0886	0.1231
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0291	0.04
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0134	0.259	0.2586
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0268	0.0263
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0268	0.0263
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0886	0.1231
Schistosoma mansoni	alpha-glucosidase	0.0136	0.263	0.367
Schistosoma mansoni	alpha glucosidase	0.0035	0.0274	0.0375
Plasmodium vivax	sphingomyelin synthase 2, putative	0.0024	0.0005	0.0201
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0268	0.0577
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0291	0.04
Onchocerca volvulus		0.0035	0.0268	0.0654
Loa Loa (eye worm)	hypothetical protein	0.0148	0.2907	0.2903
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0268	0.0577
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0268	0.0367
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0083	0.1393	0.1388
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0035	0.0274	0.0268
Entamoeba histolytica	hypothetical protein	0.0035	0.0268	0.9184
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0291	0.04
Onchocerca volvulus	Huntingtin homolog	0.0148	0.2907	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0084	0.0078
Brugia malayi	intermediate filament protein	0.0027	0.0084	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0268	0.0263
Echinococcus granulosus	geminin	0.0167	0.3341	1
Brugia malayi	hypothetical protein	0.0148	0.2907	0.2903
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0268	0.919
Schistosoma mansoni	hypothetical protein	0.0035	0.0268	0.0367
Echinococcus granulosus	L aminoadipate semialdehyde	0.0083	0.1393	0.4158
Echinococcus multilocularis	lamin	0.0027	0.0084	0.0234
Echinococcus granulosus	intermediate filament protein	0.0027	0.0084	0.0234
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.0886	0.2639
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0084	0.0078
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0274	0.0375
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0134	0.259	0.7747
Loa Loa (eye worm)	RNA binding protein	0.0061	0.0886	0.0881
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0035	0.0274	0.0268
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0291	0.0857
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0134	0.259	0.2586
Entamoeba histolytica	hypothetical protein	0.0024	0.0005	0.0185
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.0274	0.0375
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0268	0.0263
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0268	0.0577
Entamoeba histolytica	hypothetical protein	0.0024	0.0005	0.0185
Leishmania major	alpha glucosidase II subunit, putative	0.0035	0.0274	0.9392
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0268	0.0263
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.0886	0.0881
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.0291	1
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0886	0.1231
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0268	0.0367
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0268	0.0577
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0035	0.0274	0.0375
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0886	0.1231
Leishmania major	phosphatidylcholine:ceramide cholinephosphotransferase 2	0.0024	0.0005	0.0185
Brugia malayi	beta-lactamase family protein	0.0035	0.0268	0.0263
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0268	0.919
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0134	0.259	0.7747
Echinococcus granulosus	lamin	0.0027	0.0084	0.0234
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0268	0.0786
Loa Loa (eye worm)	hypothetical protein	0.0148	0.2907	0.2903
Entamoeba histolytica	hypothetical membrane-spanning protein	0.0024	0.0005	0.0185
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0268	0.0375
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0023	0	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0268	0.0367
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0158	0.3144	0.314
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.0886	0.0881
Onchocerca volvulus		0.0035	0.0268	0.0654
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0274	0.0375
Loa Loa (eye worm)	inositol-1	0.0036	0.0291	0.0286
Trypanosoma brucei	inositol phosphorylceramide synthase	0.0024	0.0005	0.0185
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0032	0.0204	0.0438
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0083	0.1393	0.4158
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0023	0	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0268	0.0367
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0268	0.0577
Schistosoma mansoni	glutaminase	0.033	0.7158	1
Plasmodium falciparum	sphingomyelin synthase 2, putative	0.0024	0.0005	1
Trypanosoma brucei	sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional	0.0024	0.0005	0.0185
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0268	0.0375
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0291	1
Echinococcus multilocularis	geminin	0.0167	0.3341	1
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0268	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0134	0.259	0.3613
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0268	0.0788
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0274	0.938
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.465	1
Trichomonas vaginalis	esterase, putative	0.0035	0.0268	0.0367
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0249	0.0244
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0274	0.0375
Entamoeba histolytica	hypothetical protein	0.0024	0.0005	0.0185
Leishmania major	hypothetical protein, conserved	0.0035	0.0268	0.9205
Plasmodium vivax	sphingomyelin synthase 1, putative	0.0024	0.0005	0.0201
Entamoeba histolytica	hypothetical protein	0.0024	0.0005	0.0185
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0032	0.0204	0.7596
Onchocerca volvulus	Huntingtin homolog	0.0148	0.2907	1
Schistosoma mansoni	hypothetical protein	0.0167	0.3341	0.4664
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.0274	0.9392
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0268	0.0375
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.0291	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0274	0.938
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0291	0.04
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0617	0.0612
Echinococcus granulosus	neutral alpha glucosidase AB	0.0035	0.0274	0.0804
Loa Loa (eye worm)	hypothetical protein	0.0172	0.3471	0.3468
Schistosoma mansoni	hypothetical protein	0.0034	0.0249	0.0341
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0083	0.1393	0.194
Trypanosoma brucei	sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional	0.0024	0.0005	0.0185
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0268	0.9205
Loa Loa (eye worm)	glutaminase	0.033	0.7158	0.7156
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0249	0.0244
Trypanosoma brucei	glucosidase, putative	0.0035	0.0274	0.9392
Entamoeba histolytica	hypothetical protein	0.0035	0.0268	0.9184
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0268	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1 um	PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ]	ChEMBL.	No reference
Potency (functional)	3.2944 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)	5.6234 uM	PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.6234 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory)	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

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.

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: CHEMBL1339681

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1252383