TDR Targets

Basic information

Technical information

TDR Targets ID: 1419640
Name: 3-(4-chlorophenyl)sulfonyl-6-ethoxy-1H-quinol in-4-one
MW: 363.815 | Formula: C17H14ClNO4S
H donors: 1 H acceptors: 4 LogP: 4.15 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc2c(c1)c(O)c(cn2)S(=O)(=O)c1ccc(cc1)Cl
InChi: 1S/C17H14ClNO4S/c1-2-23-12-5-8-15-14(9-12)17(20)16(10-19-15)24(21,22)13-6-3-11(18)4-7-13/h3-10H,2H2,1H3,(H,19,20)
InChiKey: IQNUHSAHJVXATQ-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

3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-quinolone
MLS000686785
SMR000339872

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	huntingtin	Starlite/ChEMBL	No references
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed), beta	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Mycobacterium tuberculosis	Conserved 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
Leishmania braziliensis	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
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
Leishmania infantum	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
Trypanosoma brucei gambiense	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Leishmania mexicana	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Brugia malayi	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma congolense	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.4271	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0472	0.2299	1
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0163	0.0608	0.2223
Entamoeba histolytica	hypothetical protein	0.023	0.0974	1
Giardia lamblia	Replication factor C, subunit 1	0.0074	0.0125	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0105	0.0294	0.1717
Loa Loa (eye worm)	hypothetical protein	0.019	0.0756	0.0725
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0472	0.2299	1
Toxoplasma gondii	Ulp1 protease family, C-terminal catalytic domain-containing protein	0.0097	0.0249	0.0921
Schistosoma mansoni	transcription factor LCR-F1	0.023	0.0974	0.2221
Trypanosoma cruzi	FHA domain containing protein, putative	0.0074	0.0125	0.0731
Brugia malayi	MH1 domain containing protein	0.0071	0.0107	0.0075
Schistosoma mansoni	hypothetical protein	0.0058	0.0038	0.0012
Loa Loa (eye worm)	MH1 domain-containing protein	0.0128	0.042	0.0389
Brugia malayi	MH2 domain containing protein	0.0128	0.042	0.0389
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0125	0.0092
Brugia malayi	Pax transcription activation domain interacting protein	0.0074	0.0125	0.0092
Echinococcus granulosus	peptidase Clp S14 family	0.0309	0.141	0.325
Toxoplasma gondii	LsmAD domain-containing protein	0.0105	0.0294	0.1119
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0097	0.0249	0.0217
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0472	0.2299	1
Toxoplasma gondii	hypothetical protein	0.0163	0.0608	0.2512
Schistosoma mansoni	smad1 5 8 and	0.0128	0.042	0.0914
Schistosoma mansoni	Smad4	0.0128	0.042	0.0914
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0173	0.0663	0.3871
Brugia malayi	MH1 domain containing protein	0.0128	0.042	0.0389
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.0125	0.0731
Brugia malayi	N-terminal motif family protein	0.019	0.0756	0.0725
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0472	0.2299	1
Loa Loa (eye worm)	transcription factor SMAD2	0.1882	1	1
Brugia malayi	RNA recognition motif domain containing protein	0.0734	0.3727	0.3706
Schistosoma mansoni	hypothetical protein	0.023	0.0974	0.2221
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0472	0.2299	1
Loa Loa (eye worm)	hypothetical protein	0.0472	0.2299	0.2273
Brugia malayi	MH2 domain containing protein	0.0128	0.042	0.0389
Schistosoma mansoni	topbp1	0.0074	0.0125	0.0218
Plasmodium falciparum	ataxin-2 like protein, putative	0.0105	0.0294	0.0776
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.0074	0.0125	0.0092
Leishmania major	mitochondrial DNA polymerase beta	0.0365	0.1712	1
Echinococcus granulosus	sentrin specific protease 1	0.0097	0.0249	0.051
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0279	0.1243	0.2856
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0472	0.2299	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0125	0.0092
Loa Loa (eye worm)	glutaminase 2	0.0281	0.1255	0.1226
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0128	0.042	0.0914
Loa Loa (eye worm)	MH2 domain-containing protein	0.0128	0.042	0.0389
Entamoeba histolytica	hypothetical protein	0.023	0.0974	1
Loa Loa (eye worm)	hypothetical protein	0.0279	0.1243	0.1214
Schistosoma mansoni	tar DNA-binding protein	0.0734	0.3727	0.8716
Entamoeba histolytica	hypothetical protein	0.023	0.0974	1
Loa Loa (eye worm)	glutaminase	0.0281	0.1255	0.1226
Brugia malayi	hypothetical protein	0.023	0.0974	0.0944
Onchocerca volvulus	Huntingtin homolog	0.0148	0.0528	0.6849
Entamoeba histolytica	hypothetical protein	0.023	0.0974	1
Schistosoma mansoni	hypothetical protein	0.0279	0.1243	0.2856
Plasmodium falciparum	ataxin-2 like protein, putative	0.0105	0.0294	0.0776
Schistosoma mansoni	smad1 5 8 and	0.0128	0.042	0.0914
Brugia malayi	Smad1	0.0128	0.042	0.0389
Trichomonas vaginalis	glutaminase, putative	0.0281	0.1255	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0163	0.0608	0.2223
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0163	0.0608	0.2223
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0472	0.2299	0.5346
Schistosoma mansoni	peptidase Clp (S14 family)	0.0472	0.2299	0.5346
Echinococcus multilocularis	Smad4	0.0128	0.042	0.0914
Echinococcus multilocularis	replication factor c subunit 1	0.0074	0.0125	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0249	0.0217
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0128	0.042	0.0914
Schistosoma mansoni	tar DNA-binding protein	0.0734	0.3727	0.8716
Brugia malayi	MH1 domain containing protein	0.0071	0.0107	0.0075
Plasmodium falciparum	sentrin-specific protease 1	0.0097	0.0249	0.0571
Mycobacterium ulcerans	glutaminase	0.0281	0.1255	0.5197
Brugia malayi	hypothetical protein	0.0074	0.0125	0.0092
Plasmodium vivax	ataxin-2 like protein, putative	0.0105	0.0294	0.0776
Brugia malayi	Latrophilin receptor protein 2	0.0279	0.1243	0.1214
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	0.1712	1
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0074	0.0125	0.0731
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.0125	0.0731
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.4271	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0279	0.1243	0.2856
Schistosoma mansoni	hypothetical protein	0.0279	0.1243	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0148	0.0528	0.0497
Plasmodium vivax	sentrin-specific protease 1, putative	0.0097	0.0249	0.0571
Schistosoma mansoni	topbp1	0.0074	0.0125	0.0218
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0365	0.1712	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0279	0.1243	0.1214
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0734	0.3727	0.3706
Brugia malayi	hypothetical protein	0.0074	0.0125	0.0092
Brugia malayi	glutaminase DH11.1	0.0281	0.1255	0.1226
Echinococcus multilocularis	smad	0.0128	0.042	0.0914
Onchocerca volvulus		0.0058	0.0038	0.007
Schistosoma mansoni	tar DNA-binding protein	0.0734	0.3727	0.8716
Loa Loa (eye worm)	nuclear factor I	0.0071	0.0107	0.0075
Trypanosoma cruzi	PAB1-binding protein , putative	0.0105	0.0294	0.1717
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0107	0.0075
Brugia malayi	Probable ClpP-like protease	0.0472	0.2299	0.2273
Echinococcus multilocularis	nibrin	0.0074	0.0125	0.0218
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0128	0.042	0.0914
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.023	0.0974	0.2221
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0472	0.2299	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0882	0.4535	0.4517
Brugia malayi	hypothetical protein	0.0068	0.009	0.0058
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0279	0.1243	0.2856
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0472	0.2299	1
Loa Loa (eye worm)	Smad1	0.0128	0.042	0.0389
Brugia malayi	DKFZp564C0469 protein	0.0074	0.0125	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0286	0.128	0.1251
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	0.1712	1
Echinococcus granulosus	tar DNA binding protein	0.0734	0.3727	0.8716
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0294	0.0262
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0309	0.141	1
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0074	0.0125	0.0372
Schistosoma mansoni	smad1 5 8 and	0.0128	0.042	0.0914
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.0663	0.26
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0472	0.2299	1
Loa Loa (eye worm)	hypothetical protein	0.0882	0.4535	0.4517
Schistosoma mansoni	glutaminase	0.0281	0.1255	0.2883
Echinococcus granulosus	nibrin	0.0074	0.0125	0.0218
Onchocerca volvulus		0.0074	0.0125	0.1276
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0472	0.2299	1
Schistosoma mansoni	chromosome transmission fidelity factor	0.0074	0.0125	0.0218
Brugia malayi	hypothetical protein	0.0286	0.128	0.1251
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0097	0.0249	0.1461
Onchocerca volvulus	Huntingtin homolog	0.0148	0.0528	0.6849
Echinococcus granulosus	GPCR family 2	0.0279	0.1243	0.2856
Schistosoma mansoni	smad	0.0128	0.042	0.0914
Brugia malayi	RNA binding protein	0.0734	0.3727	0.3706
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0062	0.0061	0.0358
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0125	0.0092
Schistosoma mansoni	hypothetical protein	0.0279	0.1243	0.2856
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.023	0.0974	0.2221
Brugia malayi	topoisomerase	0.0074	0.0125	0.0092
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.128	0.2941
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0097	0.0249	0.051
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0038	0.0005
Echinococcus multilocularis	tar DNA binding protein	0.0734	0.3727	0.8716
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0097	0.0249	0.051
Toxoplasma gondii	ATPase, AAA family protein	0.0074	0.0125	0.0372
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0472	0.2299	0.5346
Brugia malayi	hypothetical protein	0.0148	0.0528	0.0497
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.128	0.2941
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0882	0.4535	0.4517
Echinococcus granulosus	replication factor c subunit 1	0.0074	0.0125	0.0218
Echinococcus granulosus	Smad4	0.0128	0.042	0.0914
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0038	0.0012
Loa Loa (eye worm)	MH2 domain-containing protein	0.1882	1	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0125	0.0092
Schistosoma mansoni	DNA ligase IV	0.0074	0.0125	0.0218
Schistosoma mansoni	tar DNA-binding protein	0.0734	0.3727	0.8716
Echinococcus multilocularis	GPCR, family 2	0.0279	0.1243	0.2856
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.4271	1
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0074	0.0125	0.0731
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0279	0.1243	0.1214
Mycobacterium ulcerans	hypothetical protein	0.0192	0.0769	0.2963
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0279	0.1243	0.2856
Echinococcus granulosus	smad	0.0128	0.042	0.0914
Echinococcus multilocularis	sentrin specific protease 1	0.0097	0.0249	0.051
Schistosoma mansoni	tar DNA-binding protein	0.0734	0.3727	0.8716
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.019	0.0756	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0603	0.3012	0.2988
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0163	0.0608	0.2223
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0097	0.0249	0.1098
Brugia malayi	MH1 domain containing protein	0.0128	0.042	0.0389
Echinococcus granulosus	mothers against decapentaplegic 5	0.0128	0.042	0.0914
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0125	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0148	0.0528	0.0497
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0309	0.141	0.5912
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0472	0.2299	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.0663	0.3871
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0309	0.141	1
Loa Loa (eye worm)	RNA binding protein	0.0734	0.3727	0.3706
Brugia malayi	hypothetical protein	0.0105	0.0294	0.0262
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0309	0.141	0.325
Trypanosoma brucei	PAB1-binding protein , putative	0.0105	0.0294	0.1717
Schistosoma mansoni	hypothetical protein	0.0279	0.1243	0.2856
Loa Loa (eye worm)	TAR-binding protein	0.0734	0.3727	0.3706
Brugia malayi	TAR-binding protein	0.0734	0.3727	0.3706
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0128	0.042	0.0914
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0882	0.4535	0.4517
Schistosoma mansoni	hypothetical protein	0.0603	0.3012	0.7027
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0125	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0603	0.3012	0.2988

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.8526 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)	= 2.8184 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)	11.5821 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)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	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)	= 19.9526 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)	23.0999 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: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 35.4813 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)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (binding)	= 79.4328 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	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.

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External resources for this compound

ChEMBL: CHEMBL1571202

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1419640