TDR Targets

Basic information

Technical information

TDR Targets ID: 1233234
Name: methyl 5-[[5-[(5-methoxycarbonylfuran-2-yl)me thylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylm ethyl]furan-2-carboxylate
MW: 426.487 | Formula: C16H14N2O6S3
H donors: 0 H acceptors: 4 LogP: 3.62 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1ccc(o1)CSc1nnc(s1)SCc1ccc(o1)C(=O)OC
InChi: 1S/C16H14N2O6S3/c1-21-13(19)11-5-3-9(23-11)7-25-15-17-18-16(27-15)26-8-10-4-6-12(24-10)14(20)22-2/h3-6H,7-8H2,1-2H3
InChiKey: GHGTXWUTPYFTED-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

methyl 5-[[5-[(5-methoxycarbonyl-2-furyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate
5-[[[5-[(5-methoxycarbonyl-2-furyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]methyl]-2-furancarboxylic acid methyl ester
5-[[[5-[(5-carbomethoxy-2-furyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester
T5418897
MLS000048401
SMR000065095
ZINC03395080

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	thyroid stimulating hormone receptor	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed) iota	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Brugia malayi	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0047	0.0199	0.2347
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.008	0.0569	0.669
Echinococcus multilocularis	FTZ F1 alpha	0.0047	0.0199	0.2347
Brugia malayi	hypothetical protein	0.0182	0.1723	0.6022
Onchocerca volvulus		0.0182	0.1723	0.5857
Schistosoma mansoni	BC026374 protein (S09 family)	0.0105	0.085	1
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.003	0.0005	0.0005
Leishmania major	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.003	0.0005	0.002
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0047	0.0199	0.0697
Brugia malayi	hypothetical protein	0.0105	0.085	0.2969
Echinococcus granulosus	transcription factor Dp 1	0.0046	0.0191	0.2251
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0047	0.0199	0.2347
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0497	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0105	0.085	0.2969
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0047	0.0199	0.0697
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0105	0.085	0.085
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0047	0.0199	0.0433
Brugia malayi	beta-NAC-like protein	0.0042	0.0147	0.0514
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0047	0.0199	0.2347
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0497	0.5845
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0105	0.085	0.2943
Schistosoma mansoni	nuclear hormone receptor	0.0047	0.0199	0.2347
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0078	0.0916
Brugia malayi	Carboxylesterase family protein	0.0105	0.085	0.2969
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0047	0.0199	0.0697
Onchocerca volvulus		0.0105	0.085	0.2748
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0047	0.0199	0.0697
Brugia malayi	Nuclear hormone receptor-like 1	0.0047	0.0199	0.0697
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0047	0.0199	0.0697
Echinococcus multilocularis	para nitrobenzyl esterase	0.0105	0.085	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0497	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0199	0.0697
Loa Loa (eye worm)	hypothetical protein	0.0105	0.085	0.2969
Echinococcus multilocularis	acetylcholinesterase	0.0105	0.085	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0047	0.0199	0.2347
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0199	0.0697
Entamoeba histolytica	transcription factor BTF3, putative	0.0042	0.0147	0.2589
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0047	0.0199	0.0697
Loa Loa (eye worm)	carboxylesterase	0.0105	0.085	0.2969
Trypanosoma brucei	transcription factor BTF3, putative	0.0042	0.0147	0.0575
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0047	0.0199	0.2347
Schistosoma mansoni	RAR-like nuclear receptor	0.0047	0.0199	0.2347
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0047	0.0199	0.0697
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0105	0.085	1
Brugia malayi	Pre-SET motif family protein	0.0036	0.0078	0.0272
Brugia malayi	nuclear hormone receptor	0.0047	0.0199	0.0697
Onchocerca volvulus		0.0286	0.2887	1
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0147	0.051
Schistosoma mansoni	gliotactin	0.0105	0.085	1
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.2887	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0105	0.085	0.085
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.008	0.0569	1
Brugia malayi	ecdysteroid receptor	0.0047	0.0199	0.0697
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.008	0.0569	0.2221
Brugia malayi	Carboxylesterase family protein	0.0105	0.085	0.2969
Loa Loa (eye worm)	carboxylesterase	0.0105	0.085	0.2969
Loa Loa (eye worm)	hypothetical protein	0.0105	0.085	0.2969
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0047	0.0199	0.0697
Echinococcus multilocularis	ecdysone induced protein 78C	0.0047	0.0199	0.2347
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0047	0.0199	0.2347
Echinococcus multilocularis	acetylcholinesterase	0.0105	0.085	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0047	0.0199	0.0697
Onchocerca volvulus	Bile acid receptor homolog	0.0047	0.0199	0.0433
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.003	0.0005	0.002
Echinococcus granulosus	neuroligin	0.0105	0.085	1
Echinococcus granulosus	BC026374 protein S09 family	0.0105	0.085	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0047	0.0199	0.0697
Brugia malayi	Carboxylesterase family protein	0.0105	0.085	0.2969
Schistosoma mansoni	thyroid hormone receptor	0.0047	0.0199	0.2347
Mycobacterium ulcerans	carboxylesterase, LipT	0.0919	1	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0078	0.0916
Loa Loa (eye worm)	carboxylesterase	0.0105	0.085	0.2969
Brugia malayi	follicle stimulating hormone receptor	0.0284	0.2862	1
Onchocerca volvulus		0.0105	0.085	0.2748
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0105	0.085	1
Brugia malayi	Carboxylesterase family protein	0.0105	0.085	0.2969
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0497	0.0497
Onchocerca volvulus		0.0105	0.085	0.2748
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0047	0.0199	0.2347
Loa Loa (eye worm)	hypothetical protein	0.0105	0.085	0.2969
Onchocerca volvulus		0.0105	0.085	0.2748
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0105	0.085	1
Loa Loa (eye worm)	hypothetical protein	0.0105	0.085	0.2969
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0047	0.0199	0.2347
Schistosoma mansoni	acetylcholinesterase	0.0105	0.085	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0047	0.0199	0.2347
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.2497	0.8725
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0047	0.0199	0.2347
Echinococcus multilocularis	transcription factor btf3	0.0042	0.0147	0.1732
Echinococcus granulosus	transcription factor btf3	0.0042	0.0147	0.1732
Echinococcus granulosus	ecdysone induced protein 78C	0.0047	0.0199	0.2347
Plasmodium vivax	basic transcription factor 3b, putative	0.0042	0.0147	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0105	0.085	0.2943
Loa Loa (eye worm)	hypothetical protein	0.0105	0.085	0.2969
Loa Loa (eye worm)	ICD-1 protein	0.0042	0.0147	0.0514
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.008	0.0569	0.2221
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0105	0.085	1
Toxoplasma gondii	NAC domain-containing protein	0.0042	0.0147	0.2963
Onchocerca volvulus		0.0047	0.0199	0.0433
Loa Loa (eye worm)	hypothetical protein	0.0182	0.1723	0.6022
Echinococcus granulosus	FTZ F1 alpha	0.0047	0.0199	0.2347
Echinococcus granulosus	para nitrobenzyl esterase	0.0105	0.085	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0047	0.0199	0.2347
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0105	0.085	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0078	0.0916
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0047	0.0199	0.0697
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0105	0.085	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0047	0.0199	0.2347
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0078	0.0272
Echinococcus multilocularis	citrate lyase subunit beta protein	0.003	0.0005	0.0061
Leishmania major	hypothetical protein, conserved	0.0257	0.256	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0047	0.0199	0.2347
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0047	0.0199	0.2347
Trypanosoma brucei	hypothetical protein, conserved	0.0257	0.256	1
Loa Loa (eye worm)	acetylcholinesterase 1	0.0105	0.085	0.2969
Loa Loa (eye worm)	hypothetical protein	0.0105	0.085	0.2969
Mycobacterium ulcerans	citrate lyase beta subunit, CitE_2	0.003	0.0005	0.0005
Mycobacterium tuberculosis	Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase)	0.0853	0.9263	0.9263
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0199	0.0697
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0047	0.0199	0.0697
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.008	0.0569	0.669
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0047	0.0199	0.0697
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0199	0.0697
Brugia malayi	Carboxylesterase family protein	0.0105	0.085	0.2969
Brugia malayi	Carboxylesterase family protein	0.0105	0.085	0.2969
Loa Loa (eye worm)	hypothetical protein	0.0105	0.085	0.2969
Schistosoma mansoni	transcription factor btf3	0.0042	0.0147	0.1732
Echinococcus granulosus	acetylcholinesterase	0.0105	0.085	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0047	0.0199	0.0697
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0199	0.0697
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0147	0.051
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.008	0.0569	0.669
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0047	0.0199	0.2347
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0497	1
Mycobacterium ulcerans	mycothiol conjugate amidase Mca	0.0883	0.959	0.959
Onchocerca volvulus		0.0105	0.085	0.2748
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0047	0.0199	0.2347
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0078	0.0916
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.008	0.0569	0.2221
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0047	0.0199	0.2347
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.008	0.0569	0.1987
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0199	0.0697
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0047	0.0199	0.2347
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0047	0.0199	0.0697
Mycobacterium ulcerans	hypothetical protein	0.003	0.0005	0.0005
Giardia lamblia	Glucosamine-6-phosphate isomerase, putative	0.0029	0	0.5
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0047	0.0199	0.2347
Echinococcus multilocularis	neuroligin	0.0105	0.085	1
Mycobacterium ulcerans	hypothetical protein	0.003	0.0005	0.0005
Echinococcus multilocularis	carboxylesterase 5A	0.0105	0.085	1
Brugia malayi	Pre-SET motif family protein	0.0251	0.2497	0.8725
Echinococcus multilocularis	transcription factor Dp 1	0.0046	0.0191	0.2251
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.008	0.0569	0.2221
Plasmodium vivax	SET domain protein, putative	0.0036	0.0078	0.5287
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0078	0.0916
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0078	0.0916
Leishmania major	basic transcription factor 3a, putative	0.0042	0.0147	0.0575
Brugia malayi	Steroid receptor seven-up type 2	0.0047	0.0199	0.0697
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0078	0.0916
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0105	0.085	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0047	0.0199	0.0697
Loa Loa (eye worm)	steroid hormone receptor	0.0047	0.0199	0.0697
Echinococcus granulosus	acetylcholinesterase	0.0105	0.085	1
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.008	0.0569	0.1987
Echinococcus granulosus	citrate lyase subunit beta protein	0.003	0.0005	0.0061
Schistosoma mansoni	thyroid hormone receptor	0.0047	0.0199	0.2347
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.0078	0.1567
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.003	0.0005	0.002
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0199	0.0697
Loa Loa (eye worm)	hypothetical protein	0.0105	0.085	0.2969
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0047	0.0199	0.2347
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0105	0.085	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0199	0.0697
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0047	0.0199	0.0697
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0497	0.1941
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0047	0.0199	0.2347
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0047	0.0199	0.0697
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.003	0.0005	0.0005
Mycobacterium tuberculosis	Conserved protein	0.003	0.0005	0.0005
Plasmodium falciparum	basic transcription factor 3b, putative	0.0042	0.0147	1
Trypanosoma cruzi	transcription factor btf3, putative	0.0042	0.0147	0.0575
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0047	0.0199	0.0697
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0284	0.2862	1
Brugia malayi	nuclear receptor NHR-88	0.0047	0.0199	0.0697
Brugia malayi	steroid hormone receptor	0.0047	0.0199	0.0697
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0147	0.051
Trypanosoma cruzi	hypothetical protein, conserved	0.0257	0.256	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0047	0.0199	0.0697
Onchocerca volvulus	Protein ultraspiracle homolog	0.0047	0.0199	0.0433
Trypanosoma cruzi	hypothetical protein, conserved	0.0257	0.256	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0497	0.0497
Mycobacterium leprae	Mycothiol conjugate amidase Mca (Mycothiol S-conjugate amidase)	0.0883	0.959	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0047	0.0199	0.0697
Trichomonas vaginalis	Citrate lyase beta chain, putative	0.003	0.0005	0.0018
Trypanosoma cruzi	transcription factor btf3, putative	0.0042	0.0147	0.0575
Entamoeba histolytica	hypothetical protein	0.0042	0.0147	0.2589
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0497	0.5845
Mycobacterium tuberculosis	Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase)	0.003	0.0005	0.0005
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0497	0.5845
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0497	0.5845
Schistosoma mansoni	coup transcription factor	0.0047	0.0199	0.2347
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0047	0.0199	0.2347
Echinococcus granulosus	carboxylesterase 5A	0.0105	0.085	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0063	0.074

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0657 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)	17.7828 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	25.1189 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
Potency (binding)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 50.1187 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 (binding)	= 50.1187 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)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636]	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: CHEMBL1314165

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1233234