TDR Targets

Basic information

Technical information

TDR Targets ID: 1207711
Name: N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]ph enyl]carbamothioyl]-1-benzofuran-2-carboxamid e
MW: 450.553 | Formula: C24H26N4O3S
H donors: 2 H acceptors: 2 LogP: 4.69 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: S=C(NC(=O)c1cc2c(o1)cccc2)Nc1ccc(cc1)N1CCN(CC1)C(=O)C(C)C
InChi: 1S/C24H26N4O3S/c1-16(2)23(30)28-13-11-27(12-14-28)19-9-7-18(8-10-19)25-24(32)26-22(29)21-15-17-5-3-4-6-20(17)31-21/h3-10,15-16H,11-14H2,1-2H3,(H2,25,26,29,32)
InChiKey: RWNYMROQNDQULQ-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-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzofuran-2-carboxamide
N-[[[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]amino]-thioxomethyl]-2-benzofurancarboxamide
N-[[4-(4-isobutyrylpiperazin-1-yl)phenyl]thiocarbamoyl]benzofuran-2-carboxamide
STK255210

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	parathyroid hormone 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	RAB9A, member RAS oncogene family	Starlite/ChEMBL	No references
Schistosoma mansoni	Thioredoxin glutathione reductase	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	Niemann-Pick disease, type C1	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	ko:K07003 Niemann Pick type C1, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Neospora caninum	MGC84926 protein, related	Get druggable targets OG5_126785	All targets in OG5_126785
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Plasmodium berghei	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus multilocularis	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Leishmania infantum	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Neospora caninum	Glutathione reductase, related	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania major	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus granulosus	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Plasmodium yoelii	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma brucei gambiense	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania donovani	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Babesia bovis	thiodoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium yoelii	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium falciparum	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Entamoeba histolytica	Niemann-Pick C1 protein, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Toxoplasma gondii	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma mansoni	niemann-pick C1 (NPC1)	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	Get druggable targets OG5_126785	All targets in OG5_126785
Theileria parva	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium falciparum	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Plasmodium vivax	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium knowlesi	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma japonicum	ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma brucei	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus multilocularis	thioredoxin glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Cryptosporidium parvum	thioredoxin reductase 1	Get druggable targets OG5_126785	All targets in OG5_126785
Cryptosporidium hominis	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania braziliensis	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium berghei	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Brugia malayi	Niemann-Pick C1 protein precursor	Get druggable targets OG5_128206	All targets in OG5_128206
Brugia malayi	Thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania mexicana	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma cruzi	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Brugia malayi	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma congolense	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus granulosus	thioredoxin glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Plasmodium vivax	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium knowlesi	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Toxoplasma gondii	NADPH-glutathione reductase	Thioredoxin glutathione reductase	598 aa	555 aa	33.5 %
Plasmodium berghei	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	538 aa	25.3 %
Plasmodium knowlesi	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	518 aa	22.0 %
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	Thioredoxin glutathione reductase	598 aa	513 aa	25.0 %
Neospora caninum	glutathione reductase, putative	Thioredoxin glutathione reductase	598 aa	532 aa	34.6 %
Neospora caninum	hypothetical protein	Thioredoxin glutathione reductase	598 aa	485 aa	30.5 %
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	521 aa	21.5 %
Neospora caninum	Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related	Thioredoxin glutathione reductase	598 aa	512 aa	28.3 %
Onchocerca volvulus		Thioredoxin glutathione reductase	598 aa	533 aa	50.8 %
Plasmodium falciparum	ras-related protein Rab-5B	RAB9A, member RAS oncogene family	201 aa	165 aa	30.9 %
Plasmodium yoelii	dihydrolipoamide dehydrogenase	Thioredoxin glutathione reductase	598 aa	537 aa	24.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	protein patched	0.0051	0.0027	0.0049
Brugia malayi	Thioredoxin reductase	0.0046	0.0016	0.0018
Mycobacterium tuberculosis	Conserved protein	0.1745	0.3825	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0011	0.0005
Echinococcus granulosus	Protein patched homolog 1	0.0051	0.0027	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0169	0.0292	0.6448
Schistosoma mansoni	hypothetical protein	0.0049	0.0023	0.0039
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0053	0.0033	0.0064
Schistosoma mansoni	survival motor neuron protein	0.0049	0.0022	0.0035
Schistosoma mansoni	hypothetical protein	0.0049	0.0022	0.0035
Echinococcus granulosus	survival motor neuron protein 1	0.0238	0.0448	0.1151
Schistosoma mansoni	hypothetical protein	0.0043	0.0011	0.0005
Mycobacterium tuberculosis	Probable dehydrogenase	0.0104	0.0147	0.0384
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0104	0.0147	0.0384
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.2108	0.5502
Schistosoma mansoni	hypothetical protein	0.0115	0.0172	0.0428
Schistosoma mansoni	hypothetical protein	0.0053	0.0033	0.0064
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0033	0.0065
Echinococcus granulosus	Niemann Pick C1 protein	0.0119	0.018	0.0448
Mycobacterium tuberculosis	Long conserved protein	0.1745	0.3825	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0104	0.0147	0.0384
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.0022	0.0035
Plasmodium falciparum	glutathione reductase	0.0046	0.0016	0.5
Brugia malayi	hypothetical protein	0.0043	0.0011	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0027	0.0429
Brugia malayi	Niemann-Pick C1 protein precursor	0.0119	0.018	0.0448
Schistosoma mansoni	hypothetical protein	0.0049	0.0023	0.0039
Loa Loa (eye worm)	hypothetical protein	0.006	0.0048	0.0906
Brugia malayi	Thioredoxin family protein	0.1745	0.3825	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0017	0.0022
Echinococcus granulosus	jumonji domain containing protein	0.0049	0.0023	0.0037
Leishmania major	trypanothione reductase	0.0046	0.0016	1
Brugia malayi	glutathione reductase	0.0046	0.0016	0.0018
Entamoeba histolytica	hypothetical protein	0.0043	0.0011	0.002
Schistosoma mansoni	hypothetical protein	0.0049	0.0023	0.0039
Echinococcus granulosus	Transglutaminase	0.1745	0.3825	1
Schistosoma mansoni	jumonji domain containing protein	0.0092	0.0118	0.0288
Giardia lamblia	Hypothetical protein	0.1745	0.3825	0.5
Schistosoma mansoni	patched 1	0.0051	0.0027	0.0049
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0053	0.0033	0.0064
Mycobacterium ulcerans	hypothetical protein	0.1745	0.3825	1
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0016	0.5
Loa Loa (eye worm)	hypothetical protein	0.0238	0.0448	1
Brugia malayi	jmjC domain containing protein	0.0115	0.0172	0.0427
Echinococcus granulosus	inositol monophosphatase 1	0.0043	0.001	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0033	0.0553
Brugia malayi	latrophilin 2 splice variant baaae	0.0115	0.0172	0.0428
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0033	0.0065
Loa Loa (eye worm)	inositol-1	0.0043	0.001	0.0035
Brugia malayi	Inositol-1	0.0043	0.001	0.0004
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0115	0.0172	0.0427
Schistosoma mansoni	inositol monophosphatase	0.0043	0.001	0.0004
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0043	0.001	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0053	0.0033	0.0064
Echinococcus granulosus	Niemann Pick C1 protein	0.017	0.0294	0.0748
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0053	0.1015
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0016	0.0157
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0054	0.0033	0.0065
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0033	0.0065
Echinococcus multilocularis	protein dispatched 1	0.0058	0.0044	0.0092
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0169	0.0292	0.0742
Mycobacterium tuberculosis	Conserved hypothetical protein	0.1745	0.3825	1
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0011	0.0005
Entamoeba histolytica	hypothetical protein	0.0043	0.0011	0.002
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0033	0.0065
Mycobacterium tuberculosis	Probable oxidoreductase	0.0116	0.0173	0.0452
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0053	0.0033	0.0064
Echinococcus granulosus	expressed conserved protein	0.0112	0.0163	0.0406
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0121	0.0184	0.0459
Trichomonas vaginalis	conserved hypothetical protein	0.0051	0.0027	0.0045
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0169	0.0292	0.0742
Echinococcus multilocularis	inositol monophosphatase 1	0.0043	0.001	0.0004
Echinococcus granulosus	GPCR family 2	0.0053	0.0033	0.0064
Brugia malayi	Latrophilin receptor protein 2	0.0053	0.0033	0.0064
Schistosoma mansoni	hypothetical protein	0.1745	0.3825	1
Schistosoma mansoni	hypothetical protein	0.0053	0.0033	0.0064
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0104	0.0147	0.0384
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0011	0.0005
Echinococcus multilocularis	expressed conserved protein	0.0112	0.0163	0.0406
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0054	0.0033	0.0562
Echinococcus multilocularis	Niemann Pick C1 protein	0.0119	0.018	0.0448
Mycobacterium tuberculosis	Conserved hypothetical protein	0.1745	0.3825	1
Mycobacterium tuberculosis	Probable reductase	0.0104	0.0147	0.0384
Echinococcus multilocularis	jumonji domain containing protein	0.0049	0.0023	0.0037
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0169	0.0292	0.6448
Mycobacterium ulcerans	putative transglutaminase-like protein	0.1745	0.3825	1
Brugia malayi	hypothetical protein	0.0238	0.0448	0.1151
Toxoplasma gondii	thioredoxin reductase	0.0046	0.0016	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0104	0.0147	0.0384
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0033	0.0065
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0016	0.0157
Trichomonas vaginalis	peptide N-glycanase, putative	0.1745	0.3825	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0011	0.002
Schistosoma mansoni	hypothetical protein	0.0053	0.0033	0.0064
Entamoeba histolytica	hypothetical protein	0.0043	0.0011	0.002
Echinococcus multilocularis	Niemann Pick C1 protein	0.017	0.0294	0.0748
Schistosoma mansoni	hypothetical protein	0.0049	0.0023	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0119	0.018	0.3894
Echinococcus multilocularis	Transglutaminase	0.1745	0.3825	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0051	0.0027	0.0429
Echinococcus multilocularis	survival motor neuron protein 1	0.0238	0.0448	0.1151
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0119	0.018	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0053	0.0033	0.0064
Mycobacterium tuberculosis	Hypothetical protein	0.1745	0.3825	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0073	0.0076	0.1536
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0016	0.5
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0172	0.3719
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0116	0.0173	0.0452
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0116	0.0173	0.0452
Mycobacterium leprae	Conserved hypothetical protein	0.1745	0.3825	1
Schistosoma mansoni	inositol monophosphatase	0.0043	0.001	0.0004
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0017	0.0022
Brugia malayi	CHE-14 protein	0.0051	0.0027	0.0049
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0033	0.0065
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.0016	0.0041
Mycobacterium leprae	Conserved hypothetical protein	0.1745	0.3825	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0033	0.0065
Mycobacterium ulcerans	hypothetical protein	0.1745	0.3825	1
Trypanosoma brucei	trypanothione reductase	0.0046	0.0016	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0104	0.0147	0.0384
Mycobacterium ulcerans	transglutaminase family protein	0.1745	0.3825	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0051	0.0027	0.0049
Echinococcus granulosus	sterol regulatory element binding protein	0.0051	0.0027	0.0049
Echinococcus multilocularis	GPCR, family 2	0.0053	0.0033	0.0064
Giardia lamblia	Transglutaminase/protease, putative	0.1745	0.3825	0.5
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0116	0.0173	0.0452
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0115	0.0172	0.0427
Schistosoma mansoni	hypothetical protein	0.0053	0.0033	0.0064
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0053	0.0033	0.0553
Plasmodium falciparum	thioredoxin reductase	0.0046	0.0016	0.5
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0016	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1.2589 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.5481 um	PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 5.0119 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.2213 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)	= 6.3096 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 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 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)	14.575 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)	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)	23.1093 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)	35.4813 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	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: CHEMBL1301888

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1207711