TDR Targets

Basic information

Technical information

TDR Targets ID: 864329
Name: 1-(2-dimethylaminoethyl)-3-(2-methylphenyl)-1 -(1-pyridin-2-ylethyl)thiourea
MW: 342.502 | Formula: C19H26N4S
H donors: 0 H acceptors: 1 LogP: 3.41 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCN(C(c1ccccn1)C)C(=Nc1ccccc1C)S)C
InChi: 1S/C19H26N4S/c1-15-9-5-6-10-17(15)21-19(24)23(14-13-22(3)4)16(2)18-11-7-8-12-20-18/h5-12,16H,13-14H2,1-4H3,(H,21,24)
InChiKey: MAOBXWUUCAZSJJ-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

1-(2-dimethylaminoethyl)-3-(2-methylphenyl)-1-[1-(2-pyridyl)ethyl]thiourea
MLS000521157
SMR000131566

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	core-binding factor, beta subunit		No references
Homo sapiens	runt-related transcription factor 1	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	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_133916	All targets in OG5_133916
Onchocerca volvulus		Get druggable targets OG5_133916	All targets in OG5_133916
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
Brugia malayi	hypothetical protein	Get druggable targets OG5_133916	All targets in OG5_133916
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133916	All targets in OG5_133916
Echinococcus granulosus	guanine nucleotide binding protein Gs 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
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, 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
Echinococcus multilocularis	guanine nucleotide binding protein G(s) 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

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
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0032	0.0222
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0283	0.2317
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0188	0.3389	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0853	0.7819
Loa Loa (eye worm)	hypothetical protein	0.0535	1	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0038	0.052	0.0512
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0853	0.7819
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0095	0.0807
Echinococcus granulosus	GPCR family 2	0.0016	0.0102	0.087
Entamoeba histolytica	DNA repair and recombination protein RAD52, putative	0.035	0.6471	1
Echinococcus multilocularis	BRK domain containing protein	0.0012	0.0022	0.0133
Brugia malayi	steroid hormone receptor	0.0012	0.0032	0.0024
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0058	0.0906	0.2598
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0102	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0032	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0032	0.0024
Brugia malayi	hypothetical protein	0.0025	0.0283	0.0275
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0032	0.0024
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0032	0.0024
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0032	0.0024
Trypanosoma cruzi	hypothetical protein, conserved	0.0058	0.0906	1
Brugia malayi	hypothetical protein	0.0016	0.0112	0.0104
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0102	0.087
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0032	0.0222
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0032	0.0024
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0853	0.7819
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0188	0.3389	0.5
Schistosoma mansoni	hypothetical protein	0.0012	0.0022	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0453	0.0446
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0756	0.0749
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0283	0.2317
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0283	0.0275
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0032	0.0024
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0032	0.0024
Echinococcus multilocularis	BRK domain containing protein	0.0012	0.0022	0.0133
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0102	0.087
Schistosoma mansoni	hypothetical protein	0.0012	0.0022	0.0133
Schistosoma mansoni	hypothetical protein	0.0016	0.0102	0.087
Echinococcus multilocularis	BRK domain containing protein	0.0012	0.0022	0.0133
Brugia malayi	Associated with TFs and helicases family protein	0.0012	0.0022	0.0015
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0032	0.0222
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0095	0.0807
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0032	0.0024
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0032	0.0024
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0188	0.3389	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0032	0.0222
Loa Loa (eye worm)	BRM protein	0.0035	0.0466	0.0458
Echinococcus multilocularis	Chromo domain	0.0012	0.0022	0.0135
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0095	0.0807
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0102	0.0094
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0188	0.3389	1
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0095	0.0087
Loa Loa (eye worm)	hypothetical protein	0.005	0.0756	0.0749
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0038	0.052	0.4737
Loa Loa (eye worm)	hypothetical protein	0.0535	1	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0095	0.0807
Echinococcus multilocularis	Protein lozenge	0.0067	0.1079	0.9913
Echinococcus multilocularis	chromodomain helicase DNA binding protein 7	0.0012	0.0022	0.0133
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0095	0.3361
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0853	0.7819
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0032	0.0024
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0102	0.0094
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0032	0.0222
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0016	0.0095	0.3361
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0095	0.3361
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0102	0.087
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0035	0.0472	0.1306
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0853	0.7819
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0188	0.3389	0.3384
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0032	0.0222
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0032	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0032	0.0024
Brugia malayi	nuclear hormone receptor	0.0012	0.0032	0.0024
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0032	0.0024
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0095	0.0087
Leishmania major	hypothetical protein, conserved	0.0025	0.0283	0.2317
Echinococcus multilocularis	BRK domain containing protein	0.0012	0.0022	0.0133
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0032	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0032	0.0024
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0032	0.0222
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0032	0.0222
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0032	0.0024
Schistosoma mansoni	voltage-gated potassium channel	0.0041	0.0586	0.535
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0188	0.3389	0.3543
Echinococcus granulosus	BRK domain containing protein	0.0012	0.0022	0.0133
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0453	0.0446
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0035	0.0472	0.1306
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0032	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0032	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0032	0.0024
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.013	0.2282	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0011	0.0016	0.0076
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0283	1
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0095	0.0807
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0032	0.0222
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0032	0.0222
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0032	0.0222
Schistosoma mansoni	helicase	0.0068	0.1088	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0283	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0032	0.0222
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0102	0.087
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0032	0.0222
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0095	0.0807
Trypanosoma cruzi	hypothetical protein, conserved	0.0058	0.0906	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0756	0.0749
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0058	0.0906	0.2598
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0016	0.0095	0.3361
Echinococcus multilocularis	BRK domain containing protein	0.0012	0.0022	0.0133
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0032	0.0024
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0188	0.3389	0.3543
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0032	0.0024
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0032	0.0024
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0102	0.087
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0032	0.0024
Echinococcus multilocularis	global transcription activator snf2l2	0.0068	0.1088	1
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0032	0.0222
Loa Loa (eye worm)	helicase DNA-binding protein	0.0012	0.0022	0.0014
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0853	0.0845
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0032	0.0222
Schistosoma mansoni	hypothetical protein	0.0016	0.0102	0.087
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0032	0.0024
Schistosoma mansoni	hypothetical protein	0.0011	0.0016	0.0076
Echinococcus multilocularis	BRK domain containing protein	0.0012	0.0022	0.0133
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0283	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0853	0.0845
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0032	0.0222
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0011	0.0016	0.0076
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0095	0.0087
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0032	0.0222
Loa Loa (eye worm)	BRM protein	0.0043	0.0622	0.0615
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0032	0.0024
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0032	0.0024
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0058	0.0906	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0032	0.0222
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0095	0.0807
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0032	0.0222
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0038	0.052	0.4737
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0188	0.3389	1
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0188	0.3389	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0102	0.087
Schistosoma mansoni	hypothetical protein	0.0034	0.0453	0.4122
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0425	0.0417
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0032	0.0222
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0032	0.0222
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0032	0.0222
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0032	0.0222
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0853	0.7819
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0032	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0032	0.0024
Schistosoma mansoni	lozenge	0.0067	0.1079	0.9913
Echinococcus granulosus	Chromo domain	0.0012	0.0022	0.0135
Schistosoma mansoni	voltage-gated potassium channel	0.0041	0.0586	0.535
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0188	0.3389	0.3384
Giardia lamblia	DNA repair protein RAD52	0.035	0.6471	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0038	0.052	0.0512
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0032	0.0024
Onchocerca volvulus		0.0535	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0032	0.0222
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0102	0.0094
Brugia malayi	ecdysteroid receptor	0.0012	0.0032	0.0024
Onchocerca volvulus		0.0188	0.3389	0.3368
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0032	0.0222
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0032	0.0222
Leishmania major	hypothetical protein, conserved	0.0058	0.0906	1
Toxoplasma gondii	SWI2/SNF2 Brahma-like putative	0.0012	0.0034	0.1204
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0853	0.7819
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0756	0.0749
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0032	0.0222
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0188	0.3389	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0032	0.0024
Schistosoma mansoni	hypothetical protein	0.0016	0.0102	0.087
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0283	1
Echinococcus granulosus	global transcription activator snf2l2	0.0068	0.1088	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0032	0.0024
Echinococcus multilocularis	BRK domain	0.0012	0.0022	0.0133
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0032	0.0024
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0032	0.0024
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0032	0.0024
Loa Loa (eye worm)	runx1	0.0067	0.1079	0.1072
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0283	0.2317
Schistosoma mansoni	coup transcription factor	0.0012	0.0032	0.0222
Brugia malayi	BRM protein	0.0068	0.1088	0.1081
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0032	0.0024

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	64.498 uM	PUBCHEM_BIOASSAY: Discovery of Small Molecule Probes for H1N1 Influenza NS1A. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504399]	ChEMBL.	No reference
Potency (functional)	4.8642 uM	PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1477, AID1484]	ChEMBL.	No reference
Potency (functional)	5.0119 uM	PubChem BioAssay. qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia: Hit Validation with Orthogonal Assay. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.1254 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)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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: CHEMBL1427358
Search by Saint Jude

Bibliographic References

No literature references available for this target.

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Detailed information for compound 864329