TDR Targets

Basic information

Technical information

TDR Targets ID: 1403964
Name: STK113065
MW: 349.38 | Formula: C21H19NO4
H donors: 1 H acceptors: 3 LogP: 3.63 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1ccc(cc1)n1c(CCC(=O)O)ccc1c1ccccc1
InChi: 1S/C21H19NO4/c1-26-21(25)16-7-9-17(10-8-16)22-18(12-14-20(23)24)11-13-19(22)15-5-3-2-4-6-15/h2-11,13H,12,14H2,1H3,(H,23,24)
InChiKey: RMPRYRFAYKRHCQ-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Schistosoma mansoni	Thioredoxin glutathione reductase	Starlite/ChEMBL	No references
Homo sapiens	apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D	Starlite/ChEMBL	No references
Homo sapiens	parathyroid hormone 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	thioredoxin glutathione reductase	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
Loa Loa (eye worm)	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	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	thioredoxin 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
Cryptosporidium parvum	thioredoxin reductase 1	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium berghei	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium vivax	glutathione 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
Plasmodium yoelii	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
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
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania braziliensis	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Cryptosporidium hominis	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma brucei	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium falciparum	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania major	trypanothione 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
Loa Loa (eye worm)	thioredoxin 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
Neospora caninum	MGC84926 protein, related	Get druggable targets OG5_126785	All targets in OG5_126785
Brugia malayi	glutathione 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
Trypanosoma cruzi	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania infantum	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Toxoplasma gondii	thioredoxin 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
Neospora caninum	Glutathione reductase, 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
Schistosoma japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196
Plasmodium vivax	thioredoxin reductase, putative	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
Plasmodium knowlesi	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium yoelii	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Neospora caninum	Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related	Thioredoxin glutathione reductase	598 aa	512 aa	28.3 %
Plasmodium yoelii	dihydrolipoamide dehydrogenase	Thioredoxin glutathione reductase	598 aa	537 aa	24.2 %
Plasmodium berghei	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	538 aa	25.3 %
Onchocerca volvulus		Thioredoxin glutathione reductase	598 aa	533 aa	50.8 %
Toxoplasma gondii	NADPH-glutathione reductase	Thioredoxin glutathione reductase	598 aa	555 aa	33.5 %
Neospora caninum	glutathione reductase, putative	Thioredoxin glutathione reductase	598 aa	532 aa	34.6 %
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 %
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	521 aa	21.5 %
Neospora caninum	hypothetical protein	Thioredoxin glutathione reductase	598 aa	485 aa	30.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0021	0.0068	1
Onchocerca volvulus		0.0286	0.3305	1
Brugia malayi	Smad1	0.0033	0.0215	0.0371
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0152	0.1662	0.2821
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0054	0.0439
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0029	0.0157	0.5
Brugia malayi	MH1 domain containing protein	0.0018	0.0033	0.0056
Mycobacterium tuberculosis	Probable oxidoreductase	0.0116	0.1223	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0118	0.1252	0.2155
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0373	0.4374	0.753
Schistosoma mansoni	glutaminase	0.0266	0.3063	0.3063
Brugia malayi	MH1 domain containing protein	0.0033	0.0215	0.0371
Brugia malayi	Pre-SET motif family protein	0.0036	0.0247	0.0426
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0247	0.0247
Schistosoma mansoni	smad1 5 8 and	0.0033	0.0215	0.0215
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0118	0.1252	0.2111
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0365	0.0576
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0033	0.0215	0.0215
Brugia malayi	Thioredoxin reductase	0.0046	0.0365	0.0629
Echinococcus multilocularis	GPCR, family 2	0.0118	0.1252	0.1252
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0054	0.0439
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0231	0.0231
Echinococcus granulosus	mothers against decapentaplegic 5	0.0033	0.0215	0.0215
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0104	0.1081	0.8667
Mycobacterium tuberculosis	Probable reductase	0.0104	0.1081	0.8837
Plasmodium falciparum	acyl-CoA synthetase	0.0021	0.0068	0.1864
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0118	0.1252	0.1252
Leishmania major	4-coumarate:coa ligase-like protein	0.0029	0.0157	0.4288
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.0247	0.6773
Loa Loa (eye worm)	MH2 domain-containing protein	0.0033	0.0215	0.0316
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0118	0.1252	0.1252
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0157	0.0511
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.0365	0.2985
Brugia malayi	MH1 domain containing protein	0.0033	0.0215	0.0371
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0029	0.0157	0.5
Echinococcus granulosus	smad	0.0033	0.0215	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0068	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0121	0.0153
Echinococcus granulosus	Smad4	0.0033	0.0215	0.0215
Plasmodium vivax	SET domain protein, putative	0.0036	0.0247	0.6773
Brugia malayi	latrophilin 2 splice variant baaae	0.0255	0.2929	0.5042
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0033	0.0215	0.0215
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0247	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0068	0.0061
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0365	0.0576
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0116	0.1223	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0068	0.0061
Schistosoma mansoni	smad1 5 8 and	0.0033	0.0215	0.0215
Mycobacterium ulcerans	glutaminase	0.0266	0.3063	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0121	0.3308
Leishmania major	trypanothione reductase	0.0046	0.0365	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0491	0.5809	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0021	0.0068	0.1864
Loa Loa (eye worm)	MH1 domain-containing protein	0.0033	0.0215	0.0316
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0116	0.1223	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0104	0.1081	0.8837
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0373	0.4374	0.753
Loa Loa (eye worm)	hypothetical protein	0.0182	0.2038	0.3473
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0365	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0118	0.1252	0.1252
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0365	1
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.3305	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0247	0.0372
Leishmania major	4-coumarate:coa ligase-like protein	0.0029	0.0157	0.4288
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0247	0.0247
Onchocerca volvulus		0.0182	0.2038	0.5977
Schistosoma mansoni	Smad4	0.0033	0.0215	0.0215
Brugia malayi	hypothetical protein	0.0026	0.0121	0.0208
Loa Loa (eye worm)	glutaminase 2	0.0266	0.3063	0.5246
Brugia malayi	MH1 domain containing protein	0.0018	0.0033	0.0056
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0104	0.1081	0.8837
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0054	0.0439
Brugia malayi	Latrophilin receptor protein 2	0.0118	0.1252	0.2155
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0029	0.0157	0.0511
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0152	0.1662	0.1662
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0152	0.1662	0.1662
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0121	0.3308
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0121	0.3308
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0121	0.3308
Trypanosoma brucei	trypanothione reductase	0.0046	0.0365	1
Plasmodium falciparum	glutathione reductase	0.0046	0.0365	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0373	0.0373
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0029	0.0157	0.128
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0021	0.0068	0.0556
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0029	0.0157	0.0511
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0029	0.0157	0.0511
Schistosoma mansoni	hypothetical protein	0.0118	0.1252	0.1252
Brugia malayi	MH2 domain containing protein	0.0033	0.0215	0.0371
Plasmodium falciparum	thioredoxin reductase	0.0046	0.0365	1
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0033	0.0215	0.0215
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0152	0.1662	0.2862
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0157	0.0511
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0157	0.027
Brugia malayi	MH2 domain containing protein	0.0491	0.5809	1
Brugia malayi	Pre-SET motif family protein	0.0251	0.2881	0.4959
Echinococcus granulosus	GPCR family 2	0.0118	0.1252	0.1252
Echinococcus multilocularis	smad	0.0033	0.0215	0.0215
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0116	0.1223	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0121	0.3308
Mycobacterium ulcerans	hypothetical protein	0.0029	0.0157	0.0511
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0121	0.3308
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.0157	0.128
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0029	0.0157	0.0511
Leishmania major	4-coumarate:coa ligase-like protein	0.0029	0.0157	0.4288
Schistosoma mansoni	hypothetical protein	0.0118	0.1252	0.1252
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0121	0.3308
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0152	0.1662	0.1662
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.2881	0.4931
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0068	0.0061
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0152	0.1662	0.1662
Loa Loa (eye worm)	Smad1	0.0033	0.0215	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0157	0.0215
Schistosoma mansoni	smad	0.0033	0.0215	0.0215
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0054	0.0439
Loa Loa (eye worm)	glutaminase	0.0266	0.3063	0.5246
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0021	0.0068	0.0222
Brugia malayi	MH2 domain containing protein	0.0033	0.0215	0.0371
Loa Loa (eye worm)	hypothetical protein	0.0373	0.4374	0.7516
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0247	0.0247
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0104	0.1081	0.8837
Mycobacterium tuberculosis	Probable dehydrogenase	0.0104	0.1081	0.8837
Brugia malayi	hypothetical protein	0.0182	0.2038	0.3509
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0152	0.1662	0.1662
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0247	0.0247
Echinococcus multilocularis	Smad4	0.0033	0.0215	0.0215
Brugia malayi	glutaminase DH11.1	0.0266	0.3063	0.5273
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0152	0.1662	0.1662
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0104	0.1081	0.8837
Schistosoma mansoni	smad1 5 8 and	0.0033	0.0215	0.0215
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0033	0.0215	0.0215
Brugia malayi	glutathione reductase	0.0046	0.0365	0.0629
Brugia malayi	hypothetical protein	0.0017	0.0009	0.0016
Loa Loa (eye worm)	transcription factor SMAD2	0.0491	0.5809	1
Leishmania major	hypothetical protein, conserved	0.0026	0.0121	0.3308
Toxoplasma gondii	thioredoxin reductase	0.0046	0.0365	1
Schistosoma mansoni	hypothetical protein	0.0118	0.1252	0.1252
Loa Loa (eye worm)	hypothetical protein	0.0255	0.2929	0.5014
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0157	0.027
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0365	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0247	0.0247
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0373	0.0373
Onchocerca volvulus		0.0036	0.0247	0.0288
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0152	0.1662	0.1662
Entamoeba histolytica	acyl-coA synthetase, putative	0.0029	0.0157	0.5
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0157	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0068	0.0061
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0157	0.027
Trichomonas vaginalis	glutaminase, putative	0.0266	0.3063	0.9266
Schistosoma mansoni	hypothetical protein	0.0118	0.1252	0.1252
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1252	0.2111
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0157	0.0215
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0118	0.1252	0.1252
Schistosoma mansoni	hypothetical protein	0.0255	0.2929	0.2929
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0373	0.4374	0.7516
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0157	0.0511
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0247	0.0247

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	> 300 um	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)]	ChEMBL.	No reference
EC50 (binding)	> 300 um	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)]	ChEMBL.	No reference
Potency (functional)	0.3162 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.6964 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: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 14.1254 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)	20.5962 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)	44.6684 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	= 56.2341 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	63.0957 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	70.7946 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
Plasmodium falciparum	ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1542593

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1403964