TDR Targets

Basic information

Technical information

TDR Targets ID: 869198
Name: N-(4-methoxyphenyl)-4,6-dimethyl-2,3-dihydro- 1,4-benzoxazine-7-sulfonamide
MW: 348.417 | Formula: C17H20N2O4S
H donors: 1 H acceptors: 2 LogP: 2.65 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)NS(=O)(=O)c1cc2OCCN(c2cc1C)C
InChi: 1S/C17H20N2O4S/c1-12-10-15-16(23-9-8-19(15)2)11-17(12)24(20,21)18-13-4-6-14(22-3)7-5-13/h4-7,10-11,18H,8-9H2,1-3H3
InChiKey: ZRGYRHUVORGODQ-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
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	parathyroid hormone 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	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
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 japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	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
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	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
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	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 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	oxidoreductase	0.029	0.3993	0.8621
Entamoeba histolytica	aldose reductase, putative	0.029	0.3993	1
Treponema pallidum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.0449	0.6488	0.5
Leishmania major	aldo-keto reductase-like protein	0.029	0.3993	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0044	0.015	0.0324
Leishmania major	prostaglandin f synthase, putative	0.029	0.3993	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1147	0.2396
Echinococcus multilocularis	aldo keto reductase	0.029	0.3993	0.3962
Brugia malayi	Calcitonin receptor-like protein seb-1	0.012	0.134	0.2818
Brugia malayi	glutaminase DH11.1	0.033	0.4623	1
Schistosoma mansoni	hypothetical protein	0.0054	0.0297	0.0537
Trypanosoma cruzi	aldo/keto reductase, putative	0.0084	0.077	0.1613
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0054	0.0297	0.0537
Trypanosoma cruzi	aldo/keto reductase, putative	0.029	0.3993	1
Schistosoma mansoni	apoptosis regulator bax	0.0054	0.0297	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1147	0.2396
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.029	0.3993	0.3962
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.029	0.3993	0.3962
Schistosoma mansoni	glutaminase	0.033	0.4623	1
Loa Loa (eye worm)	oxidoreductase	0.029	0.3993	0.8621
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.029	0.3993	0.3962
Onchocerca volvulus		0.029	0.3993	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.134	0.2818
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0044	0.015	0.0099
Trichomonas vaginalis	malate dehydrogenase, putative	0.0044	0.015	0.0324
Brugia malayi	Matrixin family protein	0.0261	0.3546	0.7643
Loa Loa (eye worm)	oxidoreductase	0.029	0.3993	0.8621
Echinococcus granulosus	aldo keto reductase	0.029	0.3993	0.3962
Loa Loa (eye worm)	oxidoreductase	0.029	0.3993	0.8621
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.029	0.3993	0.8636
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0108	0.1147	0.2396
Plasmodium falciparum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.0449	0.6488	1
Trypanosoma brucei	aldo-keto reductase, putative	0.029	0.3993	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.029	0.3993	0.3962
Brugia malayi	Matrixin family protein	0.0108	0.1147	0.2396
Schistosoma mansoni	hypothetical protein	0.0105	0.11	0.2292
Onchocerca volvulus	Matrilysin homolog	0.024	0.3208	0.7598
Mycobacterium tuberculosis	Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras	0.0108	0.1147	0.2594
Mycobacterium ulcerans	hydrolase	0.0132	0.1516	0.2155
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.029	0.3993	0.3962
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.032	0.0587
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.029	0.3993	0.8621
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.032	0.0587
Trichomonas vaginalis	malate dehydrogenase, putative	0.0044	0.015	0.0324
Trichomonas vaginalis	malate dehydrogenase, putative	0.0044	0.015	0.0324
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0081	0.0723	0.1469
Mycobacterium leprae	Conserved hypothetical protein	0.0206	0.2679	0.399
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	0.8636
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0044	0.015	0.0324
Onchocerca volvulus		0.0153	0.1854	0.3459
Mycobacterium leprae	PROBABLE HYDROLASE	0.0132	0.1516	0.2155
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0081	0.0723	0.0675
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0044	0.015	0.0324
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.029	0.3993	0.3962
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.029	0.3993	0.3962
Trichomonas vaginalis	malate dehydrogenase, putative	0.0044	0.015	0.0324
Brugia malayi	NADH-dependent xylose reductase	0.0084	0.077	0.157
Loa Loa (eye worm)	glutaminase 2	0.033	0.4623	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	0.8636
Onchocerca volvulus	Matrix metalloproteinase homolog	0.024	0.3208	0.7598
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.029	0.3993	0.3962
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.029	0.3993	0.3962
Trichomonas vaginalis	malate dehydrogenase, putative	0.0044	0.015	0.0324
Wolbachia endosymbiont of Brugia malayi	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.0449	0.6488	0.5
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.029	0.3993	0.3962
Mycobacterium ulcerans	glutaminase	0.033	0.4623	0.7058
Echinococcus multilocularis	aldo keto reductase	0.029	0.3993	0.3962
Trypanosoma brucei	aldo/keto reductase, putative	0.0084	0.077	0.1613
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0723	0.1469
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.032	0.027
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.029	0.3993	0.3962
Trichomonas vaginalis	aldo/keto reductase, putative	0.029	0.3993	0.8636
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0297	0.0537
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.012	0.134	0.2818
Schistosoma mansoni	malate dehydrogenase	0.0044	0.015	0.0215
Chlamydia trachomatis	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.0449	0.6488	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.029	0.3993	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.029	0.3993	0.8621
Trichomonas vaginalis	malate dehydrogenase, putative	0.0044	0.015	0.0324
Schistosoma mansoni	hypothetical protein	0.0082	0.0744	0.1514
Onchocerca volvulus	Matrilysin homolog	0.0108	0.1147	0.1296
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.029	0.3993	0.3962
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0044	0.015	0.0099
Toxoplasma gondii	aldose reductase, putative	0.029	0.3993	0.5637
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0044	0.015	0.0099
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	0.8636
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.032	0.0587
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.032	0.027
Trichomonas vaginalis	aldo-keto reductase, putative	0.0084	0.077	0.1665
Trichomonas vaginalis	aldo/keto reductase, putative	0.029	0.3993	0.8636
Loa Loa (eye worm)	hypothetical protein	0.0132	0.1516	0.3203
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.029	0.3993	0.3962
Mycobacterium leprae	Possible oxidoreductase	0.0084	0.077	0.0978
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.029	0.3993	1
Brugia malayi	Matrixin family protein	0.0108	0.1147	0.2396
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.032	0.027
Loa Loa (eye worm)	oxidoreductase	0.029	0.3993	0.8621
Trypanosoma brucei	prostaglandin f synthase	0.029	0.3993	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	0.8636
Entamoeba histolytica	aldose reductase, putative	0.029	0.3993	1
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0084	0.077	0.157
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.029	0.3993	0.3962
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0393	0.5606	0.5584
Giardia lamblia	Aldose reductase	0.029	0.3993	1
Trypanosoma brucei	RNA helicase, putative	0.0105	0.11	0.2472
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.029	0.3993	0.8636
Loa Loa (eye worm)	matrixin family protein	0.024	0.3208	0.6903
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0132	0.1516	0.3203
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.029	0.3993	0.3962
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0044	0.015	0.0324
Trichomonas vaginalis	aldo-keto reductase, putative	0.0084	0.077	0.1665
Echinococcus granulosus	voltage gated potassium channel subunit	0.0084	0.077	0.0722
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.012	0.134	0.2818
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.029	0.3993	0.3962
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0084	0.077	0.0722
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0084	0.077	0.1613
Brugia malayi	Matrixin family protein	0.0108	0.1147	0.2396
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0393	0.5606	0.5584
Trichomonas vaginalis	malate dehydrogenase, putative	0.0044	0.015	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1147	0.2396
Brugia malayi	Malate dehydrogenase, cytoplasmic	0.0044	0.015	0.0215
Echinococcus multilocularis	aldo keto reductase	0.029	0.3993	0.3962
Onchocerca volvulus		0.0108	0.1147	0.1296
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0674	1	1
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0081	0.0723	0.1469
Onchocerca volvulus		0.029	0.3993	1
Mycobacterium ulcerans	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.0449	0.6488	1
Mycobacterium leprae	PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS	0.0449	0.6488	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	0.8636
Schistosoma mansoni	aldo-keto reductase	0.029	0.3993	0.8621
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0054	0.0297	0.0247
Toxoplasma gondii	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	0.0449	0.6488	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0744	0.1514
Entamoeba histolytica	aldose reductase, putative	0.029	0.3993	1
Echinococcus granulosus	aldo keto reductase	0.029	0.3993	0.3962
Mycobacterium tuberculosis	Conserved protein	0.0084	0.077	0.1613
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	0.8636
Loa Loa (eye worm)	matrixin family protein	0.0261	0.3546	0.7643
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.029	0.3993	0.3962
Echinococcus multilocularis	aldo keto reductase	0.029	0.3993	0.3962
Loa Loa (eye worm)	matrix metalloproteinase	0.0108	0.1147	0.2396
Echinococcus granulosus	aldehyde reductase	0.0206	0.2679	0.2641
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	0.8636
Schistosoma mansoni	hypothetical protein	0.0054	0.0297	0.0537
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0084	0.077	0.0722
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0044	0.015	0.0324
Schistosoma mansoni	hypothetical protein	0.0153	0.1854	0.3943
Brugia malayi	Hemopexin family protein	0.0153	0.1854	0.3943
Trichomonas vaginalis	malate dehydrogenase, putative	0.0044	0.015	0.0324
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	0.8636
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.029	0.3993	0.8636
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.029	0.3993	0.3962
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	0.8636
Mycobacterium ulcerans	hypothetical protein	0.0084	0.077	0.0978
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	0.8636
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.029	0.3993	0.3962
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	0.8636
Mycobacterium tuberculosis	Probable oxidoreductase	0.029	0.3993	1
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0044	0.015	0.0099
Onchocerca volvulus		0.0084	0.077	0.0142
Loa Loa (eye worm)	hypothetical protein	0.029	0.3993	0.8621
Trichomonas vaginalis	conserved hypothetical protein	0.0084	0.077	0.1665
Onchocerca volvulus		0.029	0.3993	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.032	0.0587
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0084	0.077	0.157
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.029	0.3993	0.8621
Onchocerca volvulus		0.029	0.3993	1
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0054	0.0297	0.0537
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.029	0.3993	0.8621
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.032	0.0587
Loa Loa (eye worm)	glutaminase	0.033	0.4623	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0082	0.0744	0.1514
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0054	0.0297	0.0247
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0132	0.1516	0.3554
Trichomonas vaginalis	malate dehydrogenase, putative	0.0044	0.015	0.0324
Schistosoma mansoni	potassium channel beta	0.0084	0.077	0.157
Onchocerca volvulus		0.029	0.3993	1
Loa Loa (eye worm)	malate dehydrogenase	0.0044	0.015	0.0215
Brugia malayi	Matrixin family protein	0.0108	0.1147	0.2396
Onchocerca volvulus		0.029	0.3993	1
Loa Loa (eye worm)	apoptosis regulator protein	0.0054	0.0297	0.0537
Schistosoma mansoni	malate dehydrogenase	0.0044	0.015	0.0215
Echinococcus granulosus	L aminoadipate semialdehyde	0.0081	0.0723	0.0675
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.029	0.3993	0.6064
Trichomonas vaginalis	aldo-keto reductase, putative	0.0084	0.077	0.1665
Echinococcus granulosus	aldo keto reductase	0.029	0.3993	0.3962
Echinococcus multilocularis	aldehyde reductase	0.0206	0.2679	0.2641
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0084	0.077	0.1665
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	0.8636
Trypanosoma cruzi	aldo-keto reductase	0.029	0.3993	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.029	0.3993	0.3962
Plasmodium vivax	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	0.0449	0.6488	1
Trichomonas vaginalis	glutaminase, putative	0.033	0.4623	1
Mycobacterium ulcerans	oxidoreductase	0.029	0.3993	0.6064
Schistosoma mansoni	pol-related	0.029	0.3993	0.8621
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0084	0.077	0.1613
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0084	0.077	0.1613
Trichomonas vaginalis	aldo/keto reductase, putative	0.029	0.3993	0.8636
Schistosoma mansoni	aldo-keto reductase	0.029	0.3993	0.8621
Schistosoma mansoni	hypothetical protein	0.0054	0.0297	0.0537
Trichomonas vaginalis	malate dehydrogenase, putative	0.0044	0.015	0.0324
Giardia lamblia	Aldose reductase	0.029	0.3993	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.032	0.027
Echinococcus granulosus	hypothetical protein	0.029	0.3993	0.3962

Activities

Activity type	Activity value	Assay description	Source	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)	4.4668 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.9433 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)	12.5893 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 15.8489 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)	28.1838 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	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: CHEMBL1355353
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 869198