TDR Targets

Basic information

Technical information

TDR Targets ID: 1224876
Name: 1-tert-butyl-5-[2-(3,4-dihydro-2H-quinolin-1- yl)-2-oxoethyl]pyrazolo[4,5-e]pyrimidin-4-one
MW: 365.429 | Formula: C20H23N5O2
H donors: 0 H acceptors: 3 LogP: 1.9 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CCCc2c1cccc2)Cn1cnc2c(c1=O)cnn2C(C)(C)C
InChi: 1S/C20H23N5O2/c1-20(2,3)25-18-15(11-22-25)19(27)23(13-21-18)12-17(26)24-10-6-8-14-7-4-5-9-16(14)24/h4-5,7,9,11,13H,6,8,10,12H2,1-3H3
InChiKey: QROADDYESMVNDQ-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

1-tert-butyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]pyrazolo[4,5-e]pyrimidin-4-one
1-tert-butyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-pyrazolo[4,5-e]pyrimidinone
1-tert-butyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]pyrazolo[4,5-e]pyrimidin-4-one
SMR000029409
ZINC04104251
1-tert-butyl-5-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
MLS000093797

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	parathyroid hormone 1 receptor	Starlite/ChEMBL	No references
Schistosoma mansoni	Thioredoxin glutathione reductase	Starlite/ChEMBL	No references
Homo sapiens	arachidonate 15-lipoxygenase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium berghei	glutathione reductase, putative	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
Leishmania braziliensis	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
Toxoplasma gondii	thioredoxin reductase	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
Leishmania donovani	trypanothione 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
Theileria parva	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Brugia malayi	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
Trypanosoma cruzi	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
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
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	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 mexicana	trypanothione reductase	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
Schistosoma japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196
Plasmodium berghei	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 falciparum	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
Schistosoma japonicum	ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium vivax	thioredoxin 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
Loa Loa (eye worm)	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium yoelii	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
Trypanosoma brucei	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania infantum	trypanothione 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
Plasmodium knowlesi	glutathione 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
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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium knowlesi	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	518 aa	22.0 %
Toxoplasma gondii	NADPH-glutathione reductase	Thioredoxin glutathione reductase	598 aa	555 aa	33.5 %
Plasmodium yoelii	dihydrolipoamide dehydrogenase	Thioredoxin glutathione reductase	598 aa	537 aa	24.2 %
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 %
Onchocerca volvulus		Thioredoxin glutathione reductase	598 aa	533 aa	50.8 %
Neospora caninum	Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related	Thioredoxin glutathione reductase	598 aa	512 aa	28.3 %
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	521 aa	21.5 %
Plasmodium berghei	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	538 aa	25.3 %
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	Thioredoxin glutathione reductase	598 aa	513 aa	25.0 %
Echinococcus granulosus	arachidonate 5 lipoxygenase	arachidonate 15-lipoxygenase	662 aa	590 aa	23.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	hypothetical protein	0.0161	0.5494	0.5494
Brugia malayi	hypothetical protein	0.0025	0.0028	0.0028
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0053	0.1176	0.1176
Schistosoma mansoni	bromodomain containing protein	0.0068	0.1754	0.1933
Brugia malayi	exodeoxyribonuclease III family protein	0.0042	0.0714	0.0714
Echinococcus granulosus	GA binding protein alpha chain	0.0083	0.2353	0.2353
Entamoeba histolytica	hypothetical protein	0.0161	0.5494	1
Brugia malayi	PHD-finger family protein	0.0027	0.0114	0.0114
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0873	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0104	0.3209	0.8431
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0042	0.0714	0.8124
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0102	0.3114	0.3114
Onchocerca volvulus		0.0056	0.1283	1
Loa Loa (eye worm)	TAR-binding protein	0.0208	0.737	0.737
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0873	1
Schistosoma mansoni	ets-related	0.0251	0.9077	1
Loa Loa (eye worm)	RNA binding protein	0.0208	0.737	0.737
Toxoplasma gondii	aldehyde dehydrogenase	0.0069	0.1819	1
Echinococcus granulosus	tar DNA binding protein	0.0208	0.737	0.737
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0028	0.0028
Trichomonas vaginalis	ap endonuclease, putative	0.0042	0.0714	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0104	0.3209	0.8431
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1874	0.1874
Schistosoma mansoni	aldehyde dehydrogenase	0.0069	0.1819	0.2004
Plasmodium falciparum	thioredoxin reductase	0.0046	0.0873	1
Schistosoma mansoni	hypothetical protein	0.0053	0.1176	0.1296
Entamoeba histolytica	hypothetical protein	0.0161	0.5494	1
Leishmania major	trypanothione reductase	0.0046	0.0873	0.4717
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0067	0.1711	0.1711
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0897	0.0897
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0069	0.1819	1
Schistosoma mansoni	ap endonuclease	0.0042	0.0714	0.0787
Trypanosoma cruzi	transcription factor btf3, putative	0.0039	0.0603	0.6801
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.0013	0.0013
Brugia malayi	TAR-binding protein	0.0208	0.737	0.737
Echinococcus multilocularis	GA binding protein alpha chain	0.0083	0.2353	0.2353
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0069	0.1819	0.1819
Schistosoma mansoni	hypothetical protein	0.0053	0.1176	0.1296
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.0013	0.0013
Trichomonas vaginalis	ap endonuclease, putative	0.0042	0.0714	1
Schistosoma mansoni	hypothetical protein	0.0179	0.6202	0.6833
Brugia malayi	Thioredoxin reductase	0.0046	0.0873	0.0873
Leishmania major	basic transcription factor 3a, putative	0.0039	0.0603	0.3208
Echinococcus granulosus	transcription factor btf3	0.0039	0.0603	0.0603
Schistosoma mansoni	hypothetical protein	0.0056	0.1283	0.1414
Echinococcus multilocularis	geminin	0.0179	0.6202	0.6202
Schistosoma mansoni	hypothetical protein	0.0053	0.1176	0.1296
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0873	0.0873
Schistosoma mansoni	gabp alpha	0.0083	0.2353	0.2592
Echinococcus multilocularis	survival motor neuron protein 1	0.0274	1	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0161	0.5494	0.5494
Loa Loa (eye worm)	hypothetical protein	0.0168	0.5771	0.5771
Loa Loa (eye worm)	hypothetical protein	0.0115	0.3644	0.3644
Loa Loa (eye worm)	ICD-1 protein	0.0039	0.0603	0.0603
Brugia malayi	glutathione reductase	0.0046	0.0873	0.0873
Schistosoma mansoni	tar DNA-binding protein	0.0208	0.737	0.8119
Plasmodium vivax	basic transcription factor 3b, putative	0.0039	0.0603	0.6904
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0102	0.3114	0.3114
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0873	0.0873
Echinococcus granulosus	geminin	0.0179	0.6202	0.6202
Toxoplasma gondii	exonuclease III APE	0.0042	0.0714	0.3832
Trypanosoma brucei	transcription factor BTF3, putative	0.0039	0.0603	0.6801
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0102	0.3114	0.3114
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0042	0.0714	0.0228
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0056	0.1283	0.1283
Brugia malayi	Ets-domain containing protein	0.0083	0.2353	0.2353
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.0013	0.0015
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0053	0.1176	0.1176
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0116	0.3673	1
Schistosoma mansoni	tar DNA-binding protein	0.0208	0.737	0.8119
Echinococcus multilocularis	tar DNA binding protein	0.0208	0.737	0.737
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0102	0.3114	0.343
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0042	0.0714	0.8124
Loa Loa (eye worm)	hypothetical protein	0.0274	1	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0053	0.1176	0.1176
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0042	0.0714	0.5
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0042	0.0714	0.0714
Echinococcus granulosus	survival motor neuron protein 1	0.0274	1	1
Brugia malayi	Latrophilin receptor protein 2	0.0053	0.1176	0.1176
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0791	0.0791
Brugia malayi	RNA binding protein	0.0208	0.737	0.737
Toxoplasma gondii	NAC domain-containing protein	0.0039	0.0603	0.3208
Plasmodium falciparum	basic transcription factor 3b, putative	0.0039	0.0603	0.6904
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0102	0.3114	0.343
Trypanosoma brucei	trypanothione reductase	0.0046	0.0873	1
Brugia malayi	Ets-domain containing protein	0.0083	0.2353	0.2353
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0053	0.1176	0.1176
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0102	0.3114	0.343
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0168	0.5771	0.5771
Echinococcus granulosus	GPCR family 2	0.0053	0.1176	0.1176
Schistosoma mansoni	lipoxygenase	0.0067	0.1711	0.1884
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0038	0.0585	0.0585
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2072	0.2072
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0042	0.0714	0.8185
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0873	0.0873
Schistosoma mansoni	transcription factor LCR-F1	0.0161	0.5494	0.6053
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0053	0.1176	0.1176
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0042	0.0714	0.0714
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0104	0.3209	0.8431
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0064	0.1601	0.1601
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0042	0.0714	0.8124
Brugia malayi	latrophilin 2 splice variant baaae	0.0115	0.3644	0.3644
Mycobacterium tuberculosis	Probable reductase	0.0104	0.3209	0.8431
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0069	0.1819	0.3734
Mycobacterium tuberculosis	Probable dehydrogenase	0.0104	0.3209	0.8431
Brugia malayi	Bromodomain containing protein	0.008	0.2255	0.2255
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0102	0.3114	0.3114
Schistosoma mansoni	transcription factor btf3	0.0039	0.0603	0.0664
Trypanosoma cruzi	transcription factor btf3, putative	0.0039	0.0603	0.6801
Schistosoma mansoni	tar DNA-binding protein	0.0208	0.737	0.8119
Entamoeba histolytica	hypothetical protein	0.0161	0.5494	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0042	0.0714	0.8185
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0053	0.1176	0.1176
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0042	0.0714	0.3832
Schistosoma mansoni	hypothetical protein	0.0179	0.6202	0.6833
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0161	0.5494	0.5494
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0069	0.1819	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0069	0.1819	0.1819
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0116	0.3673	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0028	0.0322
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0038	0.0585	0.0585
Schistosoma mansoni	tar DNA-binding protein	0.0208	0.737	0.8119
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0028	0.0322
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0069	0.1819	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0069	0.1819	0.2004
Brugia malayi	Fli-1 protein	0.0251	0.9077	0.9077
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.0873	0.0536
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0083	0.2353	0.2353
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0168	0.5771	0.5771
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0042	0.0714	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0208	0.737	0.8119
Mycobacterium tuberculosis	Probable oxidoreductase	0.0116	0.3673	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1176	0.1176
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0102	0.3114	0.3114
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0168	0.5771	0.5771
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0042	0.0714	0.5
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0069	0.1819	1
Schistosoma mansoni	hypothetical protein	0.0161	0.5494	0.6053
Brugia malayi	beta-NAC-like protein	0.0039	0.0603	0.0603
Entamoeba histolytica	hypothetical protein	0.0161	0.5494	1
Brugia malayi	RNA recognition motif domain containing protein	0.0208	0.737	0.737
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0897	0.0897
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0067	0.1711	0.1711
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0102	0.3114	0.3114
Loa Loa (eye worm)	hypothetical protein	0.0041	0.069	0.069
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0064	0.1601	0.1601
Toxoplasma gondii	thioredoxin reductase	0.0046	0.0873	0.4717
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0208	0.737	0.737
Echinococcus multilocularis	GPCR, family 2	0.0053	0.1176	0.1176
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0104	0.3209	0.8431
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0042	0.0714	0.0714
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0116	0.3673	1
Plasmodium falciparum	glutathione reductase	0.0046	0.0873	1
Schistosoma mansoni	ap endonuclease	0.0042	0.0714	0.0787
Schistosoma mansoni	hypothetical protein	0.0115	0.3644	0.4015
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0873	1
Schistosoma mansoni	hypothetical protein	0.0053	0.1176	0.1296
Brugia malayi	Bromodomain containing protein	0.0041	0.0687	0.0687
Schistosoma mansoni	survival motor neuron protein	0.0056	0.1283	0.1414
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0028	0.0322
Echinococcus multilocularis	transcription factor btf3	0.0039	0.0603	0.0603
Loa Loa (eye worm)	fli-1 protein	0.0251	0.9077	0.9077

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.3548 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)	1.8526 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)	4.4668 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 7.9433 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory)	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: CHEMBL1307795

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1224876