TDR Targets

Basic information

Technical information

TDR Targets ID: 843642
Name: 9-methyl-N-[(4-methylphenyl)methyl]-4H-thieno [4,5-c]chromene-2-carboxamide
MW: 349.446 | Formula: C21H19NO2S
H donors: 1 H acceptors: 1 LogP: 4.64 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)CNC(=O)c1cc2c(s1)c1c(C)cccc1OC2
InChi: 1S/C21H19NO2S/c1-13-6-8-15(9-7-13)11-22-21(23)18-10-16-12-24-17-5-3-4-14(2)19(17)20(16)25-18/h3-10H,11-12H2,1-2H3,(H,22,23)
InChiKey: ZRMKSMPRQXXEPV-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

9-methyl-N-(4-methylbenzyl)-4H-thieno[4,5-c]chromene-2-carboxamide
NCGC00112365-01
C712-0205

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	polymerase (DNA directed), beta	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania mexicana	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma brucei	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania braziliensis	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania major	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania infantum	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Mycobacterium tuberculosis	Conserved hypothetical protein	Get druggable targets OG5_130965	All targets in OG5_130965
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Trypanosoma congolense	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma brucei gambiense	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Mycobacterium ulcerans	hypothetical protein	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania donovani	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	polymerase (DNA directed), beta	335 aa	303 aa	32.3 %
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
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0056	0.1125	0.4223
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0756	0.2068
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0062	0.1303	0.1297
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0756	0.3746
Trypanosoma brucei	isopentenyl-diphosphate delta-isomerase (type II)	0.0129	0.3205	0.32
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0575	0.1575
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.0034	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0064	0.1332	0.1326
Trypanosoma brucei	DNA polymerase kappa, putative	0.0085	0.196	0.1954
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0756	0.2837
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0755	0.2834
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.0034	0.0027
Trypanosoma cruzi	DNA polymerase eta, putative	0.0071	0.1545	0.1539
Leishmania major	isopentenyl-diphosphate delta-isomerase, putative,isomerase, putative	0.0129	0.3205	0.32
Mycobacterium ulcerans	hypothetical protein	0.0192	0.5033	0.5117
Trypanosoma brucei	DNA polymerase kappa, putative	0.0085	0.196	0.1954
Trypanosoma brucei	unspecified product	0.0078	0.1753	0.1747
Schistosoma mansoni	hypothetical protein	0.0037	0.0575	0.216
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.0034	0.0027
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0756	0.3746
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.223	0.8376
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0071	0.1545	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0756	0.2837
Trypanosoma brucei	DNA polymerase kappa, putative	0.0047	0.0843	0.0836
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0756	0.2068
Echinococcus granulosus	dna polymerase kappa	0.0085	0.196	0.7361
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0756	0.0737
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0085	0.196	0.1954
Brugia malayi	ImpB/MucB/SamB family protein	0.0056	0.1125	0.3078
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.4472	0.4468
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0025	0.0238	0.0231
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0756	0.0737
Echinococcus granulosus	flap endonuclease 1	0.0025	0.0238	0.0893
Mycobacterium ulcerans	L-lactate dehydrogenase (cytochrome) LldD2	0.0359	0.9829	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0047	0.0843	0.0836
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.223	0.8376
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0756	0.3746
Toxoplasma gondii	exonuclease III APE	0.0018	0.0034	0.0175
Echinococcus multilocularis	dna polymerase kappa	0.0085	0.196	0.7361
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0095	0.223	0.6105
Toxoplasma gondii	hypothetical protein	0.0059	0.1197	0.7736
Plasmodium falciparum	flap endonuclease 1	0.0025	0.0238	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0756	0.0749
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0756	0.3746
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.0034	0.0203
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.098	0.0974
Trypanosoma brucei	DNA polymerase kappa, putative	0.0085	0.196	0.1954
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0756	0.2068
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0756	0.0749
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0756	0.0737
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0025	0.0214	0.1348
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0365	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0756	0.2068
Brugia malayi	polk-prov protein	0.0047	0.0843	0.2307
Mycobacterium ulcerans	isopentenyl pyrophosphate isomerase	0.0129	0.3205	0.3255
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0756	0.0762
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0756	0.0749
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0085	0.196	0.1954
Brugia malayi	hypothetical protein	0.0043	0.0755	0.2066
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0056	0.1125	0.4223
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0575	0.1575
Trypanosoma brucei	DNA polymerase kappa, putative	0.0085	0.196	0.1954
Brugia malayi	beta-lactamase family protein	0.0043	0.0756	0.2068
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0034	0.0027
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0192	0.5033	0.5103
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.3653	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.223	0.8376
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.1071	0.2931
Trypanosoma cruzi	DNA polymerase eta, putative	0.011	0.2663	0.2657
Echinococcus multilocularis	dna polymerase eta	0.011	0.2663	1
Trichomonas vaginalis	esterase, putative	0.0043	0.0756	0.3746
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.4472	0.4468
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.0034	0.0027
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0756	0.2837
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0093	0.2187	0.8212
Trypanosoma brucei	DNA polymerase kappa, putative	0.0085	0.196	0.1954
Giardia lamblia	Flap structure-specific endonuclease	0.0025	0.0238	0.1741
Entamoeba histolytica	hypothetical protein	0.0043	0.0755	0.2272
Brugia malayi	Flap endonuclease-1	0.0025	0.0238	0.0651
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0034	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0843	0.2307
Onchocerca volvulus		0.0043	0.0756	0.5
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0756	0.0737
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0755	0.2834
Entamoeba histolytica	isopentenyl-diphosphate delta-isomerase, putative	0.0129	0.3205	1
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0025	0.0238	0.15
Leishmania major	DNA polymerase eta, putative	0.011	0.2663	0.2657
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0056	0.1125	0.4223
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0756	0.0762
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0756	0.2068
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0051	0.098	0.0974
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0085	0.196	0.1954
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.223	0.8376
Plasmodium vivax	flap endonuclease 1, putative	0.0025	0.0238	0.3082
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0064	0.1332	0.1326
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0756	0.3746
Brugia malayi	ImpB/MucB/SamB family protein	0.011	0.2663	0.7289
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0095	0.223	0.6105
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0034	0.0128
Leishmania major	DNA polymerase kappa, putative	0.0064	0.1332	0.1326
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.7498	0.762
Schistosoma mansoni	ap endonuclease	0.0018	0.0034	0.0128
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0034	0.0128
Brugia malayi	beta-lactamase family protein	0.0043	0.0756	0.2068
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0034	0.0027
Entamoeba histolytica	hypothetical protein	0.0043	0.0755	0.2272
Mycobacterium leprae	POSSIBLE L-LACTATE DEHYDROGENASE (CYTOCHROME) LLDD2	0.0359	0.9829	1
Trypanosoma brucei	unspecified product	0.0039	0.0622	0.0615
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0064	0.1332	0.1325
Giardia lamblia	DINP protein human, muc B family	0.0064	0.1332	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0078	0.1753	0.1747
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0025	0.0238	0.0231
Trichomonas vaginalis	DNA polymerase eta, putative	0.0085	0.196	1
Mycobacterium ulcerans	DNA polymerase IV	0.0085	0.196	0.1988
Schistosoma mansoni	hypothetical protein	0.0043	0.0755	0.2834
Trypanosoma brucei	DNA polymerase kappa, putative	0.0085	0.196	0.1954
Echinococcus multilocularis	G protein coupled receptor kinase 1	0.0084	0.1909	0.717
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0025	0.0238	0.0231
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.0829	0.0822
Brugia malayi	beta-lactamase	0.0043	0.0756	0.2068
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0173	0.4472	0.4468
Schistosoma mansoni	DNA polymerase IV / kappa	0.0017	0.0007	0.0027
Entamoeba histolytica	hypothetical protein	0.0043	0.0755	0.2272
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.223	0.8376
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.0829	0.0822
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0034	0.1166
Trypanosoma brucei	DNA polymerase kappa, putative	0.0085	0.196	0.1954
Trypanosoma brucei	DNA polymerase IV, putative	0.0085	0.196	0.1954
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.0829	0.0822
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0034	0.0359
Echinococcus granulosus	dna polymerase eta	0.011	0.2663	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.1071	0.2931
Echinococcus granulosus	G protein coupled receptor kinase 1	0.0084	0.1909	0.717
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0056	0.1125	0.3078
Entamoeba histolytica	hypothetical protein	0.0043	0.0755	0.2272
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0756	0.0737
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0756	0.0762
Trypanosoma brucei	DNA polymerase eta, putative	0.011	0.2663	0.2657
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0085	0.196	0.1954
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.2187	0.8212
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0056	0.1125	0.3439
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0756	0.0737
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0756	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.3653	1
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0756	0.0737
Mycobacterium ulcerans	DNA polymerase IV	0.0085	0.196	0.1988
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0756	0.2068
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0756	0.2837
Trypanosoma brucei	unspecified product	0.0039	0.0622	0.0615
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1071	0.2931
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0756	0.0737
Treponema pallidum	hypothetical protein	0.0359	0.9829	1
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0051	0.098	0.0974
Schistosoma mansoni	ap endonuclease	0.0018	0.0034	0.0128
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0085	0.196	0.1954
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0093	0.2187	0.8212
Trichomonas vaginalis	flap endonuclease-1, putative	0.0025	0.0238	0.1058
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0755	0.2834
Toxoplasma gondii	ABC1 family protein	0.0043	0.0756	0.4865
Onchocerca volvulus		0.0043	0.0756	0.5
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0051	0.098	0.0974
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0756	0.0737
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0093	0.2187	0.5986
Mycobacterium ulcerans	lipase LipD	0.0043	0.0756	0.0762
Brugia malayi	MH2 domain containing protein	0.0144	0.3653	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0756	0.2068
Leishmania major	hypothetical protein, conserved	0.0043	0.0756	0.0749
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.223	0.8376
Echinococcus multilocularis	flap endonuclease 1	0.0025	0.0238	0.0893
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0034	0.0093
Loa Loa (eye worm)	flap endonuclease-1	0.0025	0.0238	0.0651
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0756	0.0737
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0056	0.1125	0.4223
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0056	0.1125	0.1113
Schistosoma mansoni	flap endonuclease-1	0.0023	0.0167	0.0629
Trypanosoma brucei	DNA polymerase kappa, putative	0.0085	0.196	0.1954
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0756	0.0762
Mycobacterium ulcerans	L-lactate dehydrogenase (cytochrome) LldD1	0.0129	0.3205	0.3255
Onchocerca volvulus		0.0043	0.0756	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0085	0.196	0.1954
Loa Loa (eye worm)	hypothetical protein	0.011	0.2663	0.7289
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.2187	0.8212
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0756	0.2068
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.1071	0.2931
Mycobacterium tuberculosis	Possible L-lactate dehydrogenase (cytochrome) LldD2	0.0359	0.9829	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0085	0.196	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.223	0.8376
Schistosoma mansoni	DNA polymerase eta	0.011	0.2663	1
Entamoeba histolytica	Flap nuclease, putative	0.0025	0.0238	0.0643
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0756	0.2068
Leishmania major	DNA polymerase eta, putative	0.0071	0.1545	0.1539

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	8.9125 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)	10 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 DNA Polymerase Beta. (Class of assay: confirmatory)	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)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference
Potency (binding)	= 31.6228 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)	= 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)	50.1187 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	89.1251 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)	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

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.

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: CHEMBL1357413
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 843642