TDR Targets

Basic information

Technical information

TDR Targets ID: 646702
Name: N-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-b enzodioxine-2-carboxamide
MW: 303.74 | Formula: C16H14ClNO3
H donors: 1 H acceptors: 1 LogP: 3.57 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C1COc2c(O1)cccc2)Nc1ccc(cc1C)Cl
InChi: 1S/C16H14ClNO3/c1-10-8-11(17)6-7-12(10)18-16(19)15-9-20-13-4-2-3-5-14(13)21-15/h2-8,15H,9H2,1H3,(H,18,19)
InChiKey: MGLMZUABKNCQIP-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

N-(4-chloro-2-methyl-phenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
AH-487/15149719
Oprea1_547934
BAS 02810615

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references
Homo sapiens	Niemann-Pick disease, type C1	Starlite/ChEMBL	No references
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	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_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K07003 Niemann Pick type C1, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Brugia malayi	Niemann-Pick C1 protein precursor	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	niemann-pick C1 (NPC1)	Get druggable targets OG5_128206	All targets in OG5_128206
Candida albicans	potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Entamoeba histolytica	Niemann-Pick C1 protein, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %
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 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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0052	0.2559	0.677
Echinococcus granulosus	expressed conserved protein	0.0112	0.6329	0.6321
Brugia malayi	CHE-14 protein	0.0051	0.2505	0.2511
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0012	0.0062	0.0041
Schistosoma mansoni	cpg binding protein	0.0033	0.1393	0.1377
Schistosoma mansoni	chromobox protein	0.0071	0.3769	0.3764
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.2373	0.2361
Brugia malayi	acetyltransferase, GNAT family protein	0.017	0.9977	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.2898	0.2889
Echinococcus granulosus	chromodomain helicase DNA binding protein 4	0.0016	0.0273	0.0252
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0306	0.0285
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.2373	0.2361
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.017	0.9977	1
Trichomonas vaginalis	chromobox protein, putative	0.0071	0.3769	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.2027	0.201
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.1067	0.2789
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0247	0.0601
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0018	0.0442	0.112
Echinococcus granulosus	sterol regulatory element binding protein	0.0051	0.2505	0.2488
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.2373	0.2356
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0052	0.2559	0.7891
Trypanosoma cruzi	ISWI complex protein	0.0018	0.0453	0.5
Brugia malayi	CHD4 protein	0.0016	0.0273	0.0274
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.1488	0.1491
Schistosoma mansoni	hypothetical protein	0.0049	0.2389	0.2378
Schistosoma mansoni	hypothetical protein	0.0049	0.2389	0.2378
Entamoeba histolytica	hypothetical protein	0.0043	0.2027	0.2966
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.1142	0.1125
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0306	0.0307
Trichomonas vaginalis	chromobox protein, putative	0.0071	0.3769	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0587	0.0567
Brugia malayi	hypothetical protein	0.0012	0.0022	0.0022
Brugia malayi	Bromodomain containing protein	0.0096	0.5361	0.5373
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0029	0.111	0.1093
Loa Loa (eye worm)	hypothetical protein	0.0051	0.2505	0.2495
Loa Loa (eye worm)	hypothetical protein	0.0119	0.6784	0.6792
Onchocerca volvulus		0.0012	0.0062	0.0206
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.18	0.4746
Leishmania major	hypothetical protein, conserved	0.0018	0.0453	0.5
Echinococcus granulosus	chromobox protein 1	0.0071	0.3769	0.3756
Brugia malayi	hypothetical protein	0.0043	0.2027	0.2032
Schistosoma mansoni	bromodomain containing protein	0.0082	0.4469	0.4467
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0018	0.0442	0.112
Plasmodium falciparum	histone acetyltransferase GCN5	0.0045	0.2121	1
Brugia malayi	CXXC zinc finger family protein	0.0029	0.1142	0.1144
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.2024	0.2006
Loa Loa (eye worm)	hypothetical protein	0.0046	0.221	0.2197
Loa Loa (eye worm)	CHromoDomain protein family member	0.0016	0.0273	0.0252
Brugia malayi	Niemann-Pick C1 protein precursor	0.0119	0.6784	0.6799
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.2373	0.2361
Loa Loa (eye worm)	transcription factor SMAD2	0.0115	0.6507	0.6514
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0306	0.0286
Schistosoma mansoni	hypothetical protein	0.0016	0.0306	0.0286
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0015	0.0217	0.0519
Brugia malayi	Heterochromatin protein 1	0.0071	0.3769	0.3778
Loa Loa (eye worm)	acetyltransferase	0.017	0.9977	1
Echinococcus multilocularis	chromobox protein 1	0.0071	0.3769	0.3756
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0627	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0085	0.4672	0.4671
Echinococcus multilocularis	Niemann Pick C1 protein	0.0119	0.6784	0.6777
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0627	0.0608
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.2373	0.2356
Loa Loa (eye worm)	hypothetical protein	0.0051	0.2505	0.2494
Echinococcus granulosus	histone lysine methyltransferase setb	0.0021	0.0627	0.0607
Echinococcus multilocularis	expressed conserved protein	0.0112	0.6329	0.6321
Trichomonas vaginalis	conserved hypothetical protein	0.0051	0.2505	0.6626
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0052	0.2559	0.7891
Loa Loa (eye worm)	hypothetical protein	0.004	0.18	0.1786
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0051	0.2505	0.2494
Echinococcus multilocularis	cpg binding protein	0.0033	0.1393	0.1374
Brugia malayi	Type III restriction enzyme, res subunit family protein	0.0012	0.0022	0.0022
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0859	0.0841
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.1067	0.2789
Brugia malayi	MH2 domain containing protein	0.0115	0.6507	0.6522
Echinococcus multilocularis	zinc finger protein	0.0029	0.1142	0.1123
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.2373	0.2361
Schistosoma mansoni	hypothetical protein	0.0035	0.1488	0.1472
Schistosoma mansoni	hypothetical protein	0.0018	0.0453	0.0433
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.2505	0.2511
Loa Loa (eye worm)	hypothetical protein	0.0062	0.3229	0.3221
Brugia malayi	SET domain containing protein	0.0012	0.0062	0.0063
Echinococcus multilocularis	Niemann Pick C1 protein	0.017	1	1
Echinococcus multilocularis	chromodomain helicase DNA binding protein 4	0.0016	0.0273	0.0252
Schistosoma mansoni	hypothetical protein	0.0025	0.0859	0.0841
Echinococcus granulosus	cpg binding protein	0.0033	0.1393	0.1374
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0162	0.9502	0.9501
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.2505	0.2511
Loa Loa (eye worm)	hypothetical protein	0.0053	0.2647	0.2637
Schistosoma mansoni	hypothetical protein	0.0016	0.0306	0.0286
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0078	0.4197	0.4184
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0018	0.0442	0.112
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0018	0.0442	0.112
Echinococcus multilocularis	protein patched	0.0051	0.2505	0.2488
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0306	0.0285
Entamoeba histolytica	hypothetical protein	0.0043	0.2027	0.2966
Schistosoma mansoni	hypothetical protein	0.0049	0.2389	0.2378
Brugia malayi	M-phase phosphoprotein, mpp8	0.0012	0.0022	0.0022
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0021	0.0587	0.0566
Echinococcus multilocularis	sterol regulatory element binding protein	0.0051	0.2505	0.2488
Brugia malayi	Associated with TFs and helicases family protein	0.0012	0.0022	0.0022
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0306	0.0307
Echinococcus granulosus	fetal alzheimer antigen falz	0.0029	0.111	0.1091
Onchocerca volvulus		0.0029	0.1142	0.5687
Schistosoma mansoni	chromobox protein	0.0071	0.3769	0.3764
Entamoeba histolytica	acetyltransferase, GNAT family	0.0045	0.2121	0.3105
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.017	0.9977	0.9977
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0119	0.6784	1
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0052	0.2559	1
Schistosoma mansoni	hypothetical protein	0.0043	0.2027	0.2014
Loa Loa (eye worm)	bromodomain containing protein	0.0025	0.0891	0.0873
Schistosoma mansoni	hypothetical protein	0.0016	0.0306	0.0286
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.2024	0.2006
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0029	0.111	0.1091
Schistosoma mansoni	zinc finger protein	0.0029	0.1142	0.1125
Brugia malayi	PHD-finger family protein	0.0036	0.1548	0.1552
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.3219	0.3212
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0018	0.0442	0.112
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.1991	1
Brugia malayi	chromobox protein homolog 3	0.004	0.18	0.1804
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0121	0.69	0.6908
Loa Loa (eye worm)	heterochromatin protein 1	0.0071	0.3769	0.3764
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0016	0.0273	0.0252
Entamoeba histolytica	hypothetical protein	0.0043	0.2027	0.2966
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0018	0.0442	0.112
Echinococcus granulosus	chromobox protein 1	0.0071	0.3769	0.3756
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.2027	0.2014
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0587	0.0567
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0306	0.0285
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.2373	0.2356
Trypanosoma brucei	ISWI complex protein	0.0018	0.0453	0.5
Brugia malayi	Valyl-tRNA synthetase	0.0012	0.0022	0.0022
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0078	0.4197	0.4184
Loa Loa (eye worm)	hypothetical protein	0.0031	0.1258	0.1241
Trypanosoma cruzi	ISWI complex protein	0.0018	0.0453	0.5
Onchocerca volvulus		0.0031	0.1258	0.6276
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0063	0.3237	1
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0306	0.0285
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0052	0.2559	0.677
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.004	0.18	0.9031
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.18	0.4746
Brugia malayi	Bromodomain containing protein	0.005	0.2462	0.2467
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0021	0.0587	0.0566
Echinococcus granulosus	Niemann Pick C1 protein	0.0119	0.6784	0.6777
Schistosoma mansoni	hypothetical protein	0.0016	0.0306	0.0286
Echinococcus granulosus	GPCR family 2	0.0016	0.0306	0.0285
Echinococcus granulosus	Protein patched homolog 1	0.0051	0.2505	0.2488
Giardia lamblia	Histone acetyltransferase GCN5	0.0045	0.2121	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0627	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0306	0.0286
Brugia malayi	Protein cec-1.	0.0012	0.0022	0.0022
Echinococcus multilocularis	chromobox protein 1	0.0071	0.3769	0.3756
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.2373	0.2378
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0052	0.2559	0.2543
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0018	0.0442	0.112
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0015	0.0247	0.0601
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0018	0.0442	0.112
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0306	0.0285
Echinococcus multilocularis	protein dispatched 1	0.0058	0.2959	0.2944
Echinococcus granulosus	zinc finger protein	0.0029	0.1142	0.1123
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0021	0.0627	0.0607
Schistosoma mansoni	zinc finger protein	0.0018	0.0453	0.0433
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.2373	0.2356
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1488	0.1472
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.1991	0.5254
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.2027	0.201
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.2505	0.2495
Entamoeba histolytica	hypothetical protein	0.0043	0.2027	0.2966
Loa Loa (eye worm)	MH2 domain-containing protein	0.0115	0.6507	0.6514
Schistosoma mansoni	hypothetical protein	0.0049	0.2389	0.2378
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.1991	0.5254
Schistosoma mansoni	cpg binding protein	0.0029	0.1142	0.1125
Schistosoma mansoni	patched 1	0.0051	0.2505	0.2494
Schistosoma mansoni	cpg binding protein	0.0033	0.1393	0.1377

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1.9953 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.2387 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	= 3.5481 um	PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.3225 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	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)	18.526 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)	18.526 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)	20.5878 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143]	ChEMBL.	No reference
Potency (functional)	20.5878 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	30.1313 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]	ChEMBL.	No reference
Potency (functional)	89.1251 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.

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: CHEMBL1431318
Search by Saint Jude

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 646702