TDR Targets

Basic information

Technical information

TDR Targets ID: 1457263
Name: N-(2,3-dihydro-1,4-benzodioxin-7-yl)-6-[(4-et hylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d ]pyrimidin-2-amine
MW: 402.489 | Formula: C24H26N4O2
H donors: 1 H acceptors: 2 LogP: 3.99 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCc1ccc(cc1)CN1CCc2c(C1)cnc(n2)Nc1ccc2c(c1)OCCO2
InChi: 1S/C24H26N4O2/c1-2-17-3-5-18(6-4-17)15-28-10-9-21-19(16-28)14-25-24(27-21)26-20-7-8-22-23(13-20)30-12-11-29-22/h3-8,13-14H,2,9-12,15-16H2,1H3,(H,25,26,27)
InChiKey: HFPCSACDAWYTKY-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

2,3-dihydro-1,4-benzodioxin-7-yl-[6-(4-ethylbenzyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amine
NCGC00131188-01
G421-0559

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 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:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	Bromodomain containing 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 granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	hypothetical 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 mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	ICD-1 protein	0.0296	0.3104	1
Leishmania major	basic transcription factor 3a, putative	0.0296	0.3104	0.8843
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0036	0.0144	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0436	0.0473
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0201	0.2023	0.6464
Trichomonas vaginalis	glucosylceramidase, putative	0.0186	0.1848	0.5775
Schistosoma mansoni	inositol monophosphatase	0.0041	0.0192	0.0208
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.0192	0.0424
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0047	0.0261	0.0624
Entamoeba histolytica	hypothetical protein	0.0296	0.3104	1
Schistosoma mansoni	hypothetical protein	0.0064	0.0456	0.0494
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0436	0.0436
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.0758	0.0758
Trichomonas vaginalis	conserved hypothetical protein	0.0296	0.3104	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0331	0.3504	1
Schistosoma mansoni	hypothetical protein	0.0138	0.1297	0.1406
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0131	0.0376
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0157	0.1517	0.4253
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0174	0.1718	0.7367
Echinococcus multilocularis	survival motor neuron protein 1	0.0259	0.2685	0.2685
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.9225	1
Plasmodium vivax	basic transcription factor 3b, putative	0.0296	0.3104	1
Onchocerca volvulus	Glucosylceramidase homolog	0.0186	0.1848	1
Brugia malayi	bHLH-PAS transcription factor	0.0039	0.0181	0.0441
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0041	0.0192	0.0479
Trichomonas vaginalis	glucosylceramidase, putative	0.0196	0.1962	0.6159
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.009	0.0758	0.2407
Loa Loa (eye worm)	hypothetical protein	0.0179	0.177	0.5681
Echinococcus granulosus	neuropeptide receptor A26	0.0901	1	1
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0047	0.0261	0.0624
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0064	0.0456	0.1341
Entamoeba histolytica	transcription factor BTF3, putative	0.0296	0.3104	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0134	0.0134
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.0192	0.0424
Brugia malayi	hypothetical protein	0.0035	0.0134	0.0291
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0041	0.0192	0.5
Brugia malayi	hypoxia-induced factor 1	0.0165	0.1612	0.5121
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0201	0.2023	0.6499
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1261	0.4036
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0758	0.0822
Brugia malayi	beta-NAC-like protein	0.0296	0.3104	1
Leishmania major	hypothetical protein, conserved	0.0035	0.0131	0.0246
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0064	0.0456	0.1428
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1261	0.4036
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0259	0.079
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0041	0.0192	0.0207
Schistosoma mansoni	hypothetical protein	0.0064	0.0456	0.0494
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0436	0.0473
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0131	0.0278
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0134	0.0134
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.0758	0.0758
Echinococcus granulosus	geminin	0.0167	0.1635	0.1635
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0436	0.1364
Echinococcus granulosus	single minded 2	0.0039	0.0181	0.0181
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0283	0.2957	0.9521
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.0552	0.0552
Onchocerca volvulus	Huntingtin homolog	0.0134	0.1261	0.6585
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.0225	0.0225
Echinococcus granulosus	survival motor neuron protein 1	0.0259	0.2685	0.2685
Schistosoma mansoni	single-minded	0.0053	0.0338	0.0367
Brugia malayi	beta-lactamase family protein	0.0035	0.0131	0.0278
Trichomonas vaginalis	glucosylceramidase, putative	0.0186	0.1848	0.5775
Trichomonas vaginalis	glucosylceramidase, putative	0.0186	0.1848	0.5775
Schistosoma mansoni	hypothetical protein	0.0025	0.0015	0.0016
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0758	0.0822
Brugia malayi	Latrophilin receptor protein 2	0.0064	0.0456	0.1341
Trichomonas vaginalis	inositol monophosphatase, putative	0.0041	0.0192	0.0207
Echinococcus multilocularis	geminin	0.0167	0.1635	0.1635
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.2286	1
Schistosoma mansoni	hypothetical protein	0.0064	0.0456	0.0494
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0165	0.1612	0.517
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0201	0.2023	0.6464
Loa Loa (eye worm)	hypothetical protein	0.0138	0.1297	0.4152
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.0758	0.0758
Schistosoma mansoni	hypothetical protein	0.0064	0.0456	0.0494
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.0758	0.0758
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0889	0.9862	0.9862
Loa Loa (eye worm)	hypothetical protein	0.0201	0.2023	0.6499
Leishmania major	mitochondrial DNA polymerase beta	0.0331	0.3504	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0186	0.1848	0.5775
Trichomonas vaginalis	glucosylceramidase, putative	0.0283	0.2957	0.9507
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0041	0.0192	0.0388
Onchocerca volvulus		0.0053	0.0333	0.1181
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.0192	0.0424
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0331	0.3504	1
Schistosoma mansoni	bromodomain containing protein	0.0076	0.0601	0.0652
Brugia malayi	beta-lactamase	0.0035	0.0131	0.0278
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0041	0.0192	0.0194
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0131	0.0376
Onchocerca volvulus	Huntingtin homolog	0.0134	0.1261	0.6585
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0064	0.0456	0.0456
Mycobacterium ulcerans	putative regulatory protein	0.0039	0.0181	0.0315
Echinococcus multilocularis	transcription factor btf3	0.0296	0.3104	0.3104
Brugia malayi	follicle stimulating hormone receptor	0.0229	0.2339	0.7499
Trichomonas vaginalis	glucosylceramidase, putative	0.0283	0.2957	0.9507
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0041	0.0044
Schistosoma mansoni	hypothetical protein	0.0053	0.0333	0.0361
Trichomonas vaginalis	conserved hypothetical protein	0.0296	0.3104	1
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.9225	0.9225
Trichomonas vaginalis	glucosylceramidase, putative	0.0283	0.2957	0.9507
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0436	0.0473
Schistosoma mansoni	inositol monophosphatase	0.0041	0.0192	0.0208
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0053	0.0333	0.0941
Schistosoma mansoni	aryl hydrocarbon receptor	0.0053	0.0338	0.0367
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0283	0.2957	0.9525
Brugia malayi	Bromodomain containing protein	0.0091	0.0763	0.2344
Brugia malayi	hypothetical protein	0.0134	0.1261	0.3975
Schistosoma mansoni	hypothetical protein	0.0167	0.1635	0.1772
Brugia malayi	hypothetical protein	0.0179	0.177	0.5638
Toxoplasma gondii	hypothetical protein	0.0053	0.0339	0.096
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0131	0.0278
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0131	0.0131
Trichomonas vaginalis	conserved hypothetical protein	0.0296	0.3104	1
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0036	0.0144	0.0061
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0131	0.0142
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0229	0.2339	0.7524
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0131	0.0376
Echinococcus multilocularis	neuropeptide s receptor	0.0901	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0131	0.0246
Brugia malayi	PAS domain containing protein	0.0053	0.0338	0.0958
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0157	0.1517	0.4253
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0131	0.0246
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0157	0.1517	0.4253
Echinococcus granulosus	inositol monophosphatase 1	0.0041	0.0192	0.0192
Toxoplasma gondii	ABC1 family protein	0.0035	0.0131	0.0278
Trichomonas vaginalis	glucosylceramidase, putative	0.0186	0.1848	0.5775
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0456	0.1428
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.0552	0.0552
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0331	0.3504	1
Trypanosoma cruzi	transcription factor btf3, putative	0.0296	0.3104	0.8843
Brugia malayi	latrophilin 2 splice variant baaae	0.0138	0.1297	0.4093
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0046	0.0101
Onchocerca volvulus		0.0039	0.0181	0.0291
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0064	0.0456	0.0456
Plasmodium falciparum	basic transcription factor 3b, putative	0.0296	0.3104	1
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0041	0.0041
Trypanosoma cruzi	transcription factor btf3, putative	0.0296	0.3104	0.8843
Loa Loa (eye worm)	inositol-1	0.0041	0.0192	0.0575
Trichomonas vaginalis	glucosylceramidase, putative	0.0186	0.1848	0.5775
Trichomonas vaginalis	glucosylceramidase, putative	0.0186	0.1848	0.5775
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0131	0.0376
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.0225	0.0225
Brugia malayi	MH2 domain containing protein	0.0144	0.1373	0.4341
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.9225	0.9225
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0758	0.0822
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0131	0.0142
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0041	0.0192	0.0207
Echinococcus granulosus	transcription factor btf3	0.0296	0.3104	0.3104
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0131	0.0246
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0436	0.1364
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0704	0.2231
Echinococcus granulosus	GPCR family 2	0.0064	0.0456	0.0456
Trichomonas vaginalis	glucosylceramidase, putative	0.0283	0.2957	0.9507
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0131	0.0376
Brugia malayi	beta-lactamase family protein	0.0035	0.0131	0.0278
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.0192	0.0424
Echinococcus multilocularis	transfer RNA-Lys	0.0039	0.0181	0.0181
Toxoplasma gondii	NAC domain-containing protein	0.0296	0.3104	1
Brugia malayi	PHD-finger family protein	0.003	0.0073	0.0091
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0134	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0259	0.2685	0.8644
Trichomonas vaginalis	glucosylceramidase, putative	0.0283	0.2957	0.9507
Brugia malayi	Inositol-1	0.0041	0.0192	0.0479
Schistosoma mansoni	survival motor neuron protein	0.0053	0.0333	0.0361
Echinococcus multilocularis	GPCR, family 2	0.0064	0.0456	0.0456
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0436	0.0473
Brugia malayi	TAR-binding protein	0.0062	0.0436	0.1276
Brugia malayi	Bromodomain containing protein	0.0046	0.0258	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0317	0.098
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0436	0.0436
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0131	0.0376
Trichomonas vaginalis	glucosylceramidase, putative	0.0196	0.1962	0.6159
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0064	0.0456	0.0456
Brugia malayi	hypothetical protein	0.0259	0.2685	0.8631
Schistosoma mansoni	transcription factor btf3	0.0296	0.3104	0.3365
Echinococcus multilocularis	neuropeptide receptor A26	0.0901	1	1
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0436	0.1364
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0057	0.0377	0.0959
Trypanosoma brucei	transcription factor BTF3, putative	0.0296	0.3104	0.8843
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0131	0.0376
Schistosoma mansoni	hypothetical protein	0.0035	0.0134	0.0146
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0064	0.0456	0.0456
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.009	0.0758	0.233
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.1373	0.4398
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0131	0.0376
Trichomonas vaginalis	glucosylceramidase, putative	0.0283	0.2957	0.9507
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0436	0.0473
Echinococcus multilocularis	inositol monophosphatase 1	0.0041	0.0192	0.0192
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0436	0.1276
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0131	0.0131
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0041	0.0041
Brugia malayi	RNA binding protein	0.0062	0.0436	0.1276
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.1373	0.4398
Mycobacterium ulcerans	hypothetical protein	0.0174	0.1718	1
Schistosoma mansoni	hypothetical protein	0.0167	0.1635	0.1772
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0047	0.0261	0.0624
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0291	0.0895
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0047	0.0261	0.0624

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (binding)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 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)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	= 22.3872 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)	25.1189 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	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)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 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
Potency (binding)	= 50.1187 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)	70.7946 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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

Annotated phenotypes:

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

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

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External resources for this compound

ChEMBL: CHEMBL1612231

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1457263