TDR Targets

Basic information

Technical information

TDR Targets ID: 1452171
Name: 2-[3-(4-methoxyphenyl)-4-methyl-5-sulfanylide ne-1,2,4-triazol-1-yl]-N-(2-phenylethyl)aceta mide
MW: 382.479 | Formula: C20H22N4O2S
H donors: 1 H acceptors: 1 LogP: 3.09 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)c1nn(c(=S)n1C)CC(=O)NCCc1ccccc1
InChi: 1S/C20H22N4O2S/c1-23-19(16-8-10-17(26-2)11-9-16)22-24(20(23)27)14-18(25)21-13-12-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3,(H,21,25)
InChiKey: MPWXZHIPNMHAJK-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-(4-methoxyphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]-N-(2-phenylethyl)acetamide
2-[3-(4-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2-phenylethyl)ethanamide
2-[3-(4-methoxyphenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-(2-phenylethyl)acetamide
MLS000702303
SMR000229436

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	lamin A/C	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_128723	All targets in OG5_128723
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0101	0.0211
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.063	0.4586	1
Brugia malayi	topoisomerase	0.0039	0.0054	0.005
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0054	0.5
Echinococcus granulosus	tar DNA binding protein	0.0378	0.2653	0.5781
Schistosoma mansoni	hypothetical protein	0.007	0.0293	0.0607
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.063	0.4586	1
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0039	0.0054	0.5
Echinococcus multilocularis	smad	0.0091	0.0453	0.0978
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0005	0.0005
Echinococcus multilocularis	Smad4	0.0091	0.0453	0.0978
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0302	0.2071	0.4511
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0413	0.2921	0.5
Entamoeba histolytica	hypothetical protein	0.007	0.0293	1
Brugia malayi	hypothetical protein	0.0177	0.1113	0.1109
Echinococcus granulosus	peptidase Clp S14 family	0.0413	0.2921	0.6367
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0413	0.2921	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0101	0.0097
Plasmodium vivax	ataxin-2 like protein, putative	0.0177	0.1113	0.2336
Schistosoma mansoni	topbp1	0.0039	0.0054	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0653	0.476	0.476
Schistosoma mansoni	smad	0.0041	0.0067	0.0131
Brugia malayi	Smad1	0.0091	0.0453	0.0448
Loa Loa (eye worm)	TAR-binding protein	0.0378	0.2653	0.2653
Brugia malayi	Latrophilin receptor protein 2	0.0302	0.2071	0.2068
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0054	0.0054
Brugia malayi	MH1 domain containing protein	0.0091	0.0453	0.0448
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0955	0.7076	0.7076
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0054	0.5
Schistosoma mansoni	hypothetical protein	0.0302	0.2071	0.4346
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0101	0.0203
Brugia malayi	RNA binding protein	0.0378	0.2653	0.2649
Brugia malayi	hypothetical protein	0.0039	0.0054	0.005
Schistosoma mansoni	smad1 5 8 and	0.0091	0.0453	0.0943
Schistosoma mansoni	smad1 5 8 and	0.0091	0.0453	0.0943
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0039	0.0054	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0378	0.2653	0.2653
Brugia malayi	MH1 domain containing protein	0.005	0.0141	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0067	0.0067
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.007	0.0293	0.063
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0079	0.0364	0.0784
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.063	0.4586	1
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0079	0.0364	0.0784
Loa Loa (eye worm)	hypothetical protein	0.0302	0.2071	0.2071
Plasmodium falciparum	ataxin-2 like protein, putative	0.0177	0.1113	0.2336
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0101	0.0203
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0091	0.0453	0.0978
Brugia malayi	RNA recognition motif domain containing protein	0.0378	0.2653	0.2649
Echinococcus granulosus	GPCR family 2	0.0302	0.2071	0.4511
Schistosoma mansoni	Smad4	0.0041	0.0067	0.0131
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0091	0.0453	0.0943
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0039	0.0054	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0177	0.1113	1
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0091	0.0453	0.0978
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0413	0.2921	0.6367
Loa Loa (eye worm)	MH2 domain-containing protein	0.0041	0.0067	0.0067
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.007	0.0293	0.063
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.063	0.4586	1
Schistosoma mansoni	hypothetical protein	0.0302	0.2071	0.4346
Loa Loa (eye worm)	hypothetical protein	0.005	0.0141	0.0141
Schistosoma mansoni	chromosome transmission fidelity factor	0.0039	0.0054	0.0104
Brugia malayi	Pax transcription activation domain interacting protein	0.0039	0.0054	0.005
Schistosoma mansoni	tar DNA-binding protein	0.0378	0.2653	0.5569
Toxoplasma gondii	LsmAD domain-containing protein	0.0177	0.1113	0.2336
Loa Loa (eye worm)	RNA binding protein	0.0378	0.2653	0.2653
Onchocerca volvulus		0.0149	0.0895	1
Brugia malayi	mothers against decapentaplegic homolog 3	0.0041	0.0067	0.0062
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.063	0.4586	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0955	0.7076	0.7075
Schistosoma mansoni	DNA ligase IV	0.0039	0.0054	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0895	0.0895
Brugia malayi	hypothetical protein	0.0149	0.0895	0.0891
Schistosoma mansoni	hypothetical protein	0.0653	0.476	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0054	0.0054
Trichomonas vaginalis	replication factor C large subunit, putative	0.0039	0.0054	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0302	0.2071	0.2071
Trypanosoma brucei	PAB1-binding protein , putative	0.0177	0.1113	1
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0054	0.5
Schistosoma mansoni	hypothetical protein	0.0302	0.2071	0.4346
Echinococcus multilocularis	nibrin	0.0039	0.0054	0.0108
Schistosoma mansoni	hypothetical protein	0.0079	0.0364	0.0755
Loa Loa (eye worm)	MH1 domain-containing protein	0.0041	0.0067	0.0067
Brugia malayi	hypothetical protein	0.0039	0.0054	0.005
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.063	0.4586	1
Schistosoma mansoni	tar DNA-binding protein	0.0378	0.2653	0.5569
Echinococcus granulosus	replication factor c subunit 1	0.0039	0.0054	0.0108
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0302	0.2071	0.4511
Trypanosoma cruzi	PAB1-binding protein , putative	0.0177	0.1113	1
Entamoeba histolytica	hypothetical protein	0.007	0.0293	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.063	0.4586	1
Schistosoma mansoni	tar DNA-binding protein	0.0378	0.2653	0.5569
Onchocerca volvulus		0.0039	0.0054	0.0558
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0413	0.2921	0.6327
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.063	0.4586	1
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0005	0.0005
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0302	0.2071	0.2068
Giardia lamblia	Replication factor C, subunit 1	0.0039	0.0054	0.5
Schistosoma mansoni	transcription factor LCR-F1	0.007	0.0293	0.0607
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0054	0.5
Schistosoma mansoni	Smad4	0.0041	0.0067	0.0131
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.063	0.4586	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0054	0.0054
Echinococcus granulosus	Smad4	0.0091	0.0453	0.0978
Entamoeba histolytica	hypothetical protein	0.007	0.0293	1
Schistosoma mansoni	smad	0.0091	0.0453	0.0943
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0217	0.1419	0.3012
Loa Loa (eye worm)	transcription factor SMAD2	0.1336	1	1
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.063	0.4586	1
Echinococcus granulosus	mothers against decapentaplegic 5	0.0091	0.0453	0.0978
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0054	0.5
Brugia malayi	DKFZp564C0469 protein	0.0039	0.0054	0.005
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0041	0.0067	0.0136
Brugia malayi	MH2 domain containing protein	0.0091	0.0453	0.0448
Echinococcus multilocularis	GPCR, family 2	0.0302	0.2071	0.4511
Loa Loa (eye worm)	hypothetical protein	0.0955	0.7076	0.7076
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0101	0.0211
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0101	0.0203
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0091	0.0453	0.0978
Loa Loa (eye worm)	MH2 domain-containing protein	0.1336	1	1
Echinococcus granulosus	nibrin	0.0039	0.0054	0.0108
Toxoplasma gondii	hypothetical protein	0.0217	0.1419	0.3012
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0041	0.0067	0.0136
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.063	0.4586	1
Entamoeba histolytica	hypothetical protein	0.007	0.0293	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.063	0.4586	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0653	0.476	0.4757
Brugia malayi	TAR-binding protein	0.0378	0.2653	0.2649
Brugia malayi	MH1 domain containing protein	0.0091	0.0453	0.0448
Schistosoma mansoni	smad1 5 8 and	0.0091	0.0453	0.0943
Schistosoma mansoni	topbp1	0.0039	0.0054	0.0104
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0217	0.1419	0.3012
Brugia malayi	MH2 domain containing protein	0.0041	0.0067	0.0062
Schistosoma mansoni	hypothetical protein	0.0302	0.2071	0.4346
Loa Loa (eye worm)	MH1 domain-containing protein	0.0091	0.0453	0.0453
Loa Loa (eye worm)	hypothetical protein	0.063	0.4586	0.4586
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0101	0.0211
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0101	0.0101
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0302	0.2071	0.4511
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0955	0.7076	0.7075
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0005	0.0005
Brugia malayi	MH1 domain containing protein	0.005	0.0141	0.0136
Brugia malayi	MH2 domain containing protein	0.0091	0.0453	0.0448
Schistosoma mansoni	tar DNA-binding protein	0.0378	0.2653	0.5569
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0054	0.0054
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0039	0.0054	0.5
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0217	0.1419	0.3012
Echinococcus multilocularis	tar DNA binding protein	0.0378	0.2653	0.5781
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.0039	0.0054	0.005
Echinococcus granulosus	smad	0.0091	0.0453	0.0978
Echinococcus granulosus	mothers against decapentaplegic 2	0.0041	0.0067	0.0136
Loa Loa (eye worm)	MH2 domain-containing protein	0.0091	0.0453	0.0453
Brugia malayi	hypothetical protein	0.007	0.0293	0.0289
Loa Loa (eye worm)	Smad1	0.0091	0.0453	0.0453
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0101	0.0211
Brugia malayi	Probable ClpP-like protease	0.063	0.4586	0.4583
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0054	0.0054
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0217	0.1419	0.3012
Brugia malayi	hypothetical protein	0.0114	0.0631	0.0627
Echinococcus granulosus	mothers against decapentaplegic 6	0.0041	0.0067	0.0136
Echinococcus multilocularis	replication factor c subunit 1	0.0039	0.0054	0.0108
Schistosoma mansoni	peptidase Clp (S14 family)	0.063	0.4586	0.9634
Plasmodium falciparum	ataxin-2 like protein, putative	0.0177	0.1113	0.2336
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.063	0.4586	1
Schistosoma mansoni	tar DNA-binding protein	0.0378	0.2653	0.5569
Loa Loa (eye worm)	nuclear factor I	0.005	0.0141	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0177	0.1113	0.1113
Schistosoma mansoni	Smad4	0.0091	0.0453	0.0943
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0302	0.2071	0.4511
Leishmania major	hypothetical protein, conserved	0.0177	0.1113	0.5
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0054	0.0054
Onchocerca volvulus	Mothers against decapentaplegic homolog	0.0041	0.0067	0.0699

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	8.2753 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)	12.5893 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	= 17.7828 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 17.7828 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 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)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
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.

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: CHEMBL1587219

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1452171