TDR Targets

Basic information

Technical information

TDR Targets ID: 661255
Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methox yphenoxy)acetamide
MW: 418.507 | Formula: C21H26N2O5S
H donors: 1 H acceptors: 3 LogP: 3.12 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
InChi: 1S/C21H26N2O5S/c1-27-19-8-4-5-9-20(19)28-16-21(24)22-17-10-12-18(13-11-17)29(25,26)23-14-6-2-3-7-15-23/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,22,24)
InChiKey: ZCSVXDHEZBOTCK-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

N-[4-(1-azepanylsulfonyl)phenyl]-2-(2-methoxyphenoxy)acetamide
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyphenoxy)ethanamide
N-[4-(Azepane-1-sulfonyl)-phenyl]-2-(2-methoxy-phenoxy)-acetamide
Oprea1_086645
BAS 03837022
AN-329/40901095
Oprea1_212513
MLS000112833
SMR000108742
ARONIS000708
STK036570
ZINC00674052

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	thyroid stimulating hormone receptor	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	hydroxyprostaglandin dehydrogenase 15-(NAD)	Starlite/ChEMBL	No references
Homo sapiens	neuropeptide S receptor 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
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	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	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
Loa Loa (eye worm)	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Get druggable targets OG5_136011	All targets in OG5_136011
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 granulosus	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Echinococcus granulosus	guanine nucleotide binding protein Gs 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
Echinococcus granulosus	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Plasmodium falciparum	steroid dehydrogenase, putative	hydroxyprostaglandin dehydrogenase 15-(NAD)	266 aa	216 aa	22.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0109	0.1904
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0061	0.0865	0.1221
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0325	0.0349
Echinococcus multilocularis	acetylcholinesterase	0.0358	0.6309	0.6268
Brugia malayi	Carboxylesterase family protein	0.0061	0.0865	0.1221
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0109	0.1904
Loa Loa (eye worm)	hypothetical protein	0.0101	0.161	0.2422
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0344	0.038
Brugia malayi	Ets-domain containing protein	0.0078	0.1182	0.1731
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0344	0.038
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0768	0.1064
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0325	0.5702
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0061	0.0865	0.1221
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0768	0.0667
Brugia malayi	Ets-domain containing protein	0.0078	0.1182	0.1731
Schistosoma mansoni	DNA polymerase eta	0.0044	0.057	0.0745
Echinococcus granulosus	acetylcholinesterase	0.0358	0.6309	0.6268
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0109	0.1904
Trichomonas vaginalis	glutaminase, putative	0.0265	0.4599	1
Brugia malayi	Importin beta-1 subunit	0.0031	0.0325	0.0349
Trypanosoma cruzi	DNA polymerase eta, putative	0.0031	0.0329	0.4775
Echinococcus multilocularis	neuroligin	0.0061	0.0865	0.0765
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0065	0.0952	0.0852
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0865	0.1221
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0061	0.0865	0.8976
Schistosoma mansoni	hypothetical protein	0.0331	0.5807	0.9191
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0865	0.1221
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0768	0.1064
Loa Loa (eye worm)	hypothetical protein	0.0305	0.5339	0.8435
Schistosoma mansoni	hypothetical protein	0.0069	0.1024	0.1477
Schistosoma mansoni	BC026374 protein (S09 family)	0.0061	0.0865	0.1221
Schistosoma mansoni	hypothetical protein	0.0032	0.0344	0.038
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.161	0.2422
Loa Loa (eye worm)	hypothetical protein	0.0358	0.6309	1
Brugia malayi	glutaminase DH11.1	0.0265	0.4599	0.7242
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0344	0.038
Onchocerca volvulus		0.0061	0.0865	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0283	0.4923	0.7765
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0865	0.1221
Schistosoma mansoni	glutaminase	0.0265	0.4599	0.7242
Echinococcus granulosus	muscleblind protein	0.0305	0.5339	0.5287
Schistosoma mansoni	hypothetical protein	0.0032	0.0344	0.038
Loa Loa (eye worm)	fli-1 protein	0.0236	0.4079	0.6403
Loa Loa (eye worm)	carboxylesterase	0.0061	0.0865	0.1221
Loa Loa (eye worm)	carboxylesterase	0.0358	0.6309	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0109	0.1904
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0109	0.1904
Echinococcus multilocularis	acetylcholinesterase	0.0358	0.6309	0.6268
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0865	0.1221
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0865	0.1221
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0109	0.1904
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0109	0.1904
Onchocerca volvulus		0.0061	0.0865	0.5
Echinococcus granulosus	GA binding protein alpha chain	0.0078	0.1182	0.1085
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.1024	0.1477
Trichomonas vaginalis	importin beta-1, putative	0.0025	0.0218	0.0244
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0065	0.0952	0.1878
Onchocerca volvulus		0.0061	0.0865	0.5
Onchocerca volvulus		0.0061	0.0865	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0344	0.0238
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0109	0.1904
Schistosoma mansoni	ets-related	0.0236	0.4079	0.6403
Echinococcus granulosus	carboxylesterase 5A	0.0358	0.6309	0.6268
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0218	0.0244
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0065	0.0952	1
Echinococcus granulosus	neuroligin	0.0061	0.0865	0.0765
Echinococcus granulosus	para nitrobenzyl esterase	0.0061	0.0865	0.0765
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0061	0.0865	0.1221
Loa Loa (eye worm)	hypothetical protein	0.0305	0.5339	0.8435
Brugia malayi	Carboxylesterase family protein	0.0061	0.0865	0.1221
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0344	0.0238
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0768	0.0667
Brugia malayi	follicle stimulating hormone receptor	0.0283	0.4923	0.7765
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0061	0.0865	0.8976
Trypanosoma brucei	unspecified product	0.0019	0.0109	0.1904
Echinococcus multilocularis	para nitrobenzyl esterase	0.0061	0.0865	0.0765
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0344	0.038
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.161	0.2422
Echinococcus multilocularis	GA binding protein alpha chain	0.0078	0.1182	0.1085
Mycobacterium ulcerans	carboxylesterase, LipT	0.0061	0.0865	0.1686
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0344	0.0238
Brugia malayi	Carboxylesterase family protein	0.0358	0.6309	1
Echinococcus granulosus	importin subunit beta 1	0.0031	0.0325	0.0219
Trypanosoma cruzi	DNA polymerase eta, putative	0.0044	0.057	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1024	0.1477
Entamoeba histolytica	hypothetical protein	0.0025	0.0218	1
Brugia malayi	hypothetical protein	0.0061	0.0865	0.1221
Echinococcus multilocularis	neuropeptide receptor A26	0.056	1	1
Echinococcus granulosus	dna polymerase eta	0.0044	0.057	0.0467
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0065	0.0952	0.0852
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0325	0.5702
Schistosoma mansoni	hypothetical protein	0.0032	0.0344	0.038
Echinococcus multilocularis	neuropeptide s receptor	0.056	1	1
Leishmania major	DNA polymerase eta, putative	0.0044	0.057	0.5477
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0061	0.0865	0.8976
Echinococcus multilocularis	snurportin 1	0.0331	0.5807	0.5761
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0768	0.1064
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0065	0.0952	0.1878
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0031	0.0329	0.0062
Schistosoma mansoni	hypothetical protein	0.0032	0.0344	0.038
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0109	0.5
Schistosoma mansoni	aldehyde dehydrogenase	0.0065	0.0952	0.136
Brugia malayi	Carboxylesterase family protein	0.0061	0.0865	0.1221
Echinococcus granulosus	GPCR family 2	0.0032	0.0344	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0358	0.6309	1
Echinococcus granulosus	acetylcholinesterase	0.0358	0.6309	0.6268
Schistosoma mansoni	acetylcholinesterase	0.0061	0.0865	0.1221
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.161	0.2422
Loa Loa (eye worm)	glutaminase	0.0265	0.4599	0.7242
Echinococcus multilocularis	muscleblind protein	0.0305	0.5339	0.5287
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0768	0.1064
Brugia malayi	Carboxylesterase family protein	0.0358	0.6309	1
Brugia malayi	RNA, U transporter 1	0.0088	0.137	0.2034
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0025	0.0218	0.2372
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0065	0.0952	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0218	0.0244
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0109	0.1904
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0061	0.0865	0.0765
Plasmodium vivax	importin-beta 2, putative	0.0031	0.0325	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0768	0.1064
Leishmania major	DNA polymerase eta, putative	0.0031	0.0329	0.2616
Brugia malayi	Muscleblind-like protein	0.0305	0.5339	0.8435
Echinococcus multilocularis	muscleblind protein 1	0.0305	0.5339	0.5287
Echinococcus granulosus	BC026374 protein S09 family	0.0061	0.0865	0.0765
Plasmodium falciparum	importin beta, putative	0.0031	0.0325	0.5
Toxoplasma gondii	aldehyde dehydrogenase	0.0065	0.0952	1
Echinococcus granulosus	neuropeptide receptor A26	0.056	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0768	0.0667
Schistosoma mansoni	gliotactin	0.0061	0.0865	0.1221
Brugia malayi	ImpB/MucB/SamB family protein	0.0044	0.057	0.0745
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0061	0.0865	0.0765
Loa Loa (eye worm)	carboxylesterase	0.0061	0.0865	0.1221
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0768	0.0667
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0065	0.0952	0.1878
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0865	0.1221
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0331	0.5807	0.9191
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0109	0.1904
Leishmania major	importin beta-1 subunit, putative	0.0025	0.0218	0.1299
Echinococcus multilocularis	importin subunit beta 1	0.0031	0.0325	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0865	0.1221
Echinococcus granulosus	snurportin 1	0.0331	0.5807	0.5761
Loa Loa (eye worm)	acetylcholinesterase 1	0.0358	0.6309	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0061	0.0865	0.1686
Schistosoma mansoni	gabp alpha	0.0078	0.1182	0.1731
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0344	0.0238
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0109	0.1904
Loa Loa (eye worm)	glutaminase 2	0.0265	0.4599	0.7242
Brugia malayi	Carboxylesterase family protein	0.0061	0.0865	0.1221
Onchocerca volvulus		0.0061	0.0865	0.5
Echinococcus multilocularis	dna polymerase eta	0.0044	0.057	0.0467
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0344	0.0238
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0078	0.1182	0.1731
Loa Loa (eye worm)	hypothetical protein	0.0044	0.057	0.0745
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0358	0.6309	1
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0975	0.1398
Trichomonas vaginalis	spcc417.12 protein, putative	0.0061	0.0865	0.1686
Trypanosoma brucei	DNA polymerase eta, putative	0.0044	0.057	1
Echinococcus multilocularis	carboxylesterase 5A	0.0358	0.6309	0.6268
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0061	0.0865	0.1221
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0109	0.1904
Mycobacterium ulcerans	glutaminase	0.0265	0.4599	1
Brugia malayi	Fli-1 protein	0.0236	0.4079	0.6403
Schistosoma mansoni	aldehyde dehydrogenase	0.0065	0.0952	0.136
Schistosoma mansoni	importin beta-1	0.0031	0.0325	0.0349
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0061	0.0865	0.0765
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0109	0.1904

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1 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)	= 6.3096 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 6.3096 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory)	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)	23.1093 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)	= 25.1189 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 Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (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: CHEMBL1496245
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 661255