TDR Targets

Basic information

Technical information

TDR Targets ID: 1444853
Name: 2-(2-methylphenyl)sulfanyl-N-[2-morpholin-4-y l-5-(trifluoromethyl)phenyl]acetamide
MW: 410.453 | Formula: C20H21F3N2O2S
H donors: 1 H acceptors: 1 LogP: 4.33 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1cc(ccc1N1CCOCC1)C(F)(F)F)CSc1ccccc1C
InChi: 1S/C20H21F3N2O2S/c1-14-4-2-3-5-18(14)28-13-19(26)24-16-12-15(20(21,22)23)6-7-17(16)25-8-10-27-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,24,26)
InChiKey: VWAIQKOXXASFLW-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-(2-methylphenyl)sulfanyl-N-[2-morpholino-5-(trifluoromethyl)phenyl]acetamide
2-[(2-methylphenyl)thio]-N-[2-morpholino-5-(trifluoromethyl)phenyl]acetamide
2-(2-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, beta, acid	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	l(3)mbt-like 1 (Drosophila)	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Brugia malayi	O-Glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 4 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 3 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	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
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Onchocerca volvulus	Glucosylceramidase homolog	Get druggable targets OG5_129423	All targets in OG5_129423
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_130415	All targets in OG5_130415

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.04	0.1171
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0202	0.0895
Schistosoma mansoni	ras GTP exchange factor	0.0025	0.0013	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0724	0.733	1
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.04	0.0528
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0227	0.2124	0.2113
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0315	0.3045	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.04	0.1171
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0232	0.0306
Schistosoma mansoni	hypothetical protein	0.0043	0.0202	0.0591
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3012	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.012	0.0153
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.0201	0.0189
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0312	0.3012	0.4104
Trypanosoma cruzi	hypothetical protein	0.0025	0.0013	0.5
Loa Loa (eye worm)	RNA binding protein	0.0062	0.04	0.0535
Echinococcus multilocularis	polycomb protein SCMH1	0.0058	0.035	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0013	0.0007
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.04	0.0535
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0036	0.012	0.0146
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0025	0.0013	0.0038
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.04	0.0535
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.2005	0.6641
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1889	0.6256
Schistosoma mansoni	sex comb on midleg homolog	0.0058	0.035	0.1026
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0315	0.3045	0.5
Loa Loa (eye worm)	hypothetical protein	0.0058	0.035	0.0467
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0434	0.0581
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0377	0.0498
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0013	0.0007
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3012	1
Schistosoma mansoni	dep domain containing protein	0.0036	0.012	0.0352
Entamoeba histolytica	fatty acid elongase, putative	0.0041	0.0175	0.8592
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0227	0.2124	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0218	0.0287
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0036	0.012	0.0107
Entamoeba histolytica	hypothetical protein	0.0043	0.0202	1
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.0315	0.3045	0.5
Schistosoma mansoni	hypothetical protein	0.035	0.3413	1
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0066	0.0434	0.0421
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0066	0.0434	0.127
Onchocerca volvulus		0.0058	0.035	0.0461
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.0201	0.0892
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0066	0.0434	0.0421
Brugia malayi	mbt repeat family protein	0.0058	0.035	0.0461
Entamoeba histolytica	hypothetical protein	0.0043	0.0202	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0286	0.038
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0218	0.0205
Trypanosoma cruzi	hypothetical protein	0.0025	0.0013	0.5
Echinococcus granulosus	tar DNA binding protein	0.0062	0.04	0.1832
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0025	0.0013	0.0038
Onchocerca volvulus		0.0036	0.012	0.0146
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0025	0.0013	0.0007
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1889	0.6256
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0202	0.0189
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.0315	0.3045	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0218	0.028
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0058	0.035	0.0461
Brugia malayi	hypothetical protein	0.0036	0.012	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0262	0.0347
Schistosoma mansoni	hypothetical protein	0.0041	0.0178	0.0521
Trypanosoma cruzi	guanine nucleotide releasing protein, putative	0.0025	0.0013	0.5
Brugia malayi	PHD-finger family protein	0.003	0.0062	0.0067
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0178	0.0225
Brugia malayi	hypothetical protein	0.0036	0.012	0.0146
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.04	0.0387
Brugia malayi	RNA binding protein	0.0062	0.04	0.0528
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0218	0.0972
Entamoeba histolytica	fatty acid elongase, putative	0.0041	0.0175	0.8592
Schistosoma mansoni	hypothetical protein	0.0025	0.0008	0.0023
Schistosoma mansoni	bromodomain containing protein	0.0076	0.0547	0.1603
Entamoeba histolytica	hypothetical protein	0.0043	0.0202	1
Brugia malayi	Bromodomain containing protein	0.0046	0.0231	0.0298
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0066	0.0434	0.1993
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0032	0.0019
Echinococcus granulosus	regulator of G protein signaling 7	0.0036	0.012	0.0508
Brugia malayi	TAR-binding protein	0.0062	0.04	0.0528
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.04	0.1171
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0218	0.0639
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.0315	0.3045	0.5
Schistosoma mansoni	sex comb on midleg homolog	0.0058	0.035	0.1026
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0032	0.009
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0025	0.0013	0.0038
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3012	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1889	0.6256
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.0315	0.3045	0.5
Entamoeba histolytica	fatty acid elongase, putative	0.0041	0.0175	0.8592
Echinococcus granulosus	polycomb protein SCMH1	0.0058	0.035	0.1597
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1889	0.6256
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.2005	0.6641
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1889	0.6256
Schistosoma mansoni	guanine-nucleotide-exchange-factor	0.0025	0.0013	0.0038
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0202	0.0591
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0036	0.012	0.0352
Entamoeba histolytica	hypothetical protein	0.0043	0.0202	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.012	0.0153
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0025	0.0013	0.0007
Brugia malayi	DIX domain containing protein	0.0036	0.012	0.0146
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0036	0.012	0.0508
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1889	0.6256
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0218	0.0972
Loa Loa (eye worm)	hypothetical protein	0.006	0.0377	0.0505
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0218	0.0639
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0377	0.0505
Echinococcus granulosus	segment polarity protein dishevelled	0.0036	0.012	0.0508
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0218	0.0205
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0036	0.012	0.0146
Chlamydia trachomatis	oxoacyl-ACP synthase III	0.0315	0.3045	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3012	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.0502	0.0489
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0066	0.0434	0.0575
Brugia malayi	Bromodomain containing protein	0.0091	0.0695	0.0932
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0315	0.3045	0.5
Echinococcus granulosus	segment polarity protein dishevelled	0.0036	0.012	0.0508
Echinococcus granulosus	SAM and MBT domain containing protein	0.0058	0.035	0.1597
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0724	0.733	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.012	0.0153
Brugia malayi	mbt repeat family protein	0.0058	0.035	0.0461
Brugia malayi	hypothetical protein	0.0043	0.0202	0.0258
Entamoeba histolytica	fatty acid elongase, putative	0.0041	0.0175	0.8592
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.04	0.1171
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0312	0.3012	0.4099
Loa Loa (eye worm)	MBCTL1	0.0066	0.0434	0.0581
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0641	0.0865
Schistosoma mansoni	dishevelled	0.0036	0.012	0.0352
Onchocerca volvulus	Glucosylceramidase homolog	0.0205	0.1889	0.2565
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0178	0.0232
Loa Loa (eye worm)	mbt repeat family protein	0.0058	0.035	0.0467
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0218	0.0639
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0377	0.0498
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0058	0.035	0.1026
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0058	0.035	0.0338
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0036	0.012	0.0153
Schistosoma mansoni	z-protein (S1r protein)	0.0036	0.012	0.0352
Loa Loa (eye worm)	DIX domain-containing protein	0.0036	0.012	0.0153
Echinococcus multilocularis	segment polarity protein dishevelled	0.0036	0.012	0.0107
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0025	0.0013	0.0007
Toxoplasma gondii	hypothetical protein	0.0036	0.012	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3012	1
Echinococcus granulosus	regulator of G protein signaling 7	0.0036	0.012	0.0508
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1889	0.6256
Echinococcus granulosus	histone acetyltransferase MYST2	0.0066	0.0434	0.1993
Echinococcus multilocularis	regulator of G protein signaling 7	0.0036	0.012	0.0107
Echinococcus multilocularis	regulator of G protein signaling 7	0.0036	0.012	0.0107
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.0502	0.2316
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3012	1
Echinococcus multilocularis	segment polarity protein dishevelled	0.0036	0.012	0.0107
Brugia malayi	regulator of G-protein signaling egl-10	0.0036	0.012	0.0146
Brugia malayi	N-terminal motif family protein	0.0724	0.733	1
Schistosoma mansoni	dishevelled	0.0036	0.012	0.0352
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0032	0.0094
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0036	0.012	0.0146
Schistosoma mansoni	regulator of G protein signaling	0.0036	0.012	0.0352
Entamoeba histolytica	fatty acid elongase, putative	0.0041	0.0175	0.8592
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.04	0.1171

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 28.4 uM	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of tim10-1 yeast via a luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463190, AID463194, AID504542, AID504544]	ChEMBL.	No reference
Potency (functional)	1.7783 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	2.0787 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)	4.6535 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)	8.1961 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)	12.5893 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)	16.3601 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	= 19.9526 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)	19.9526 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 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)	56.2341 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 (functional)	84.9214 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	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: CHEMBL1597262

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1444853