Detailed information for compound 1415045

Basic information

Technical information
  • TDR Targets ID: 1415045
  • Name: methyl 5-[(5-sulfanylidene-4H-1,3,4-thiadiazo l-2-yl)sulfanylmethyl]furan-2-carboxylate
  • MW: 288.366 | Formula: C9H8N2O3S3
  • H donors: 0 H acceptors: 3 LogP: 2.48 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(o1)CSc1nnc(s1)S
  • InChi: 1S/C9H8N2O3S3/c1-13-7(12)6-3-2-5(14-6)4-16-9-11-10-8(15)17-9/h2-3H,4H2,1H3,(H,10,15)
  • InChiKey: NQKJCPUZVXUGJR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • methyl 5-[(5-thioxo-4H-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate
  • 5-[[(5-thioxo-4H-1,3,4-thiadiazol-2-yl)thio]methyl]-2-furancarboxylic acid methyl ester
  • 5-[[(5-thioxo-4H-1,3,4-thiadiazol-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester
  • MLS000567778
  • SMR000154281
  • T5233933
  • ZINC03393969

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Trypanosoma brucei hypothetical protein, conserved Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Streptococcus pyogenes serotype M1 Streptokinase A Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium hominis NAC domain protein Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Babesia bovis NAC domain containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma brucei hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Loa Loa (eye worm) ICD-1 protein Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium knowlesi basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Plasmodium falciparum basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania braziliensis basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Toxoplasma gondii NAC domain-containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium yoelii basic transcription factor 3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Theileria parva transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium parvum BTF domain, basal transcription factor Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium vivax basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania major hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Entamoeba histolytica transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K01527 nascent polypeptide-associated complex subunit beta, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania donovani transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Neospora caninum hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi beta-NAC-like protein Get druggable targets OG5_127333 All targets in OG5_127333
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania major basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania donovani HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense nascent polypeptide associated complex alpha subunit, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0105 0.085 1
Onchocerca volvulus 0.0105 0.085 0.2748
Brugia malayi Carboxylesterase family protein 0.0105 0.085 0.2969
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0497 0.0497
Loa Loa (eye worm) carboxylesterase 0.0105 0.085 0.2969
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0078 0.0916
Brugia malayi follicle stimulating hormone receptor 0.0284 0.2862 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0919 1 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
Echinococcus multilocularis transcription factor btf3 0.0042 0.0147 0.1732
Echinococcus granulosus transcription factor btf3 0.0042 0.0147 0.1732
Schistosoma mansoni acetylcholinesterase 0.0105 0.085 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0047 0.0199 0.2347
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0047 0.0199 0.2347
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2497 0.8725
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0047 0.0199 0.2347
Onchocerca volvulus 0.0105 0.085 0.2748
Loa Loa (eye worm) hypothetical protein 0.0105 0.085 0.2969
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
Onchocerca volvulus 0.0105 0.085 0.2748
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0047 0.0199 0.2347
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0569 0.2221
Brugia malayi Carboxylesterase family protein 0.0105 0.085 0.2969
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
Schistosoma mansoni gliotactin 0.0105 0.085 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2887 1
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
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-1 0.0047 0.0199 0.0697
Onchocerca volvulus Bile acid receptor homolog 0.0047 0.0199 0.0433
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) carboxylesterase 0.0105 0.085 0.2969
Brugia malayi Nuclear hormone receptor family member nhr-31 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
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
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0105 0.085 0.2943
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
Echinococcus multilocularis BC026374 protein (S09 family) 0.0105 0.085 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0078 0.0272
Trypanosoma brucei transcription factor BTF3, putative 0.0042 0.0147 0.0575
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0047 0.0199 0.0697
Entamoeba histolytica transcription factor BTF3, putative 0.0042 0.0147 0.2589
Loa Loa (eye worm) carboxylesterase 0.0105 0.085 0.2969
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 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
Echinococcus multilocularis para nitrobenzyl esterase 0.0105 0.085 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0199 0.0697
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0497 0.0497
Loa Loa (eye worm) hypothetical protein 0.0105 0.085 0.2969
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
Schistosoma mansoni BC026374 protein (S09 family) 0.0105 0.085 1
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
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0569 0.669
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0047 0.0199 0.2347
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
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0047 0.0199 0.0697
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
Brugia malayi hypothetical protein 0.0105 0.085 0.2969
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
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.256 1
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.256 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0147 0.051
Brugia malayi photoreceptor-specific nuclear receptor 0.0047 0.0199 0.0697
Onchocerca volvulus Protein ultraspiracle homolog 0.0047 0.0199 0.0433
Brugia malayi steroid hormone receptor 0.0047 0.0199 0.0697
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
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0047 0.0199 0.2347
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0063 0.074
Echinococcus granulosus carboxylesterase 5A 0.0105 0.085 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0497 0.5845
Schistosoma mansoni coup transcription factor 0.0047 0.0199 0.2347
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
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
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
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
Echinococcus granulosus acetylcholinesterase 0.0105 0.085 1
Loa Loa (eye worm) steroid hormone receptor 0.0047 0.0199 0.0697
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
Echinococcus multilocularis neuroligin 0.0105 0.085 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0047 0.0199 0.2347
Mycobacterium ulcerans hypothetical protein 0.003 0.0005 0.0005
Brugia malayi Pre-SET motif family protein 0.0251 0.2497 0.8725
Echinococcus multilocularis carboxylesterase 5A 0.0105 0.085 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0569 0.2221
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0191 0.2251
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
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
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
Loa Loa (eye worm) hypothetical protein 0.0047 0.0199 0.0697
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 0.0105 0.085 0.2969
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
Loa Loa (eye worm) hypothetical protein 0.0047 0.0199 0.0697
Brugia malayi Nuclear hormone receptor family member nhr-25 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) nuclear hormone receptor family member nhr-49 0.0047 0.0199 0.0697
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0047 0.0199 0.2347
Mycobacterium ulcerans hypothetical protein 0.003 0.0005 0.0005
Giardia lamblia Glucosamine-6-phosphate isomerase, putative 0.0029 0 0.5
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
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
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
Schistosoma mansoni retinoic acid receptor RXR 0.0047 0.0199 0.2347
Echinococcus granulosus para nitrobenzyl esterase 0.0105 0.085 1
Toxoplasma gondii NAC domain-containing protein 0.0042 0.0147 0.2963
Schistosoma mansoni neuroligin 3 (S09 family) 0.0105 0.085 1
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
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
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0569 0.2221
Loa Loa (eye worm) ICD-1 protein 0.0042 0.0147 0.0514
Echinococcus granulosus ecdysone induced protein 78C 0.0047 0.0199 0.2347
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
Leishmania major hypothetical protein, conserved 0.0257 0.256 1
Echinococcus multilocularis citrate lyase subunit beta protein 0.003 0.0005 0.0061
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0047 0.0199 0.2347
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0047 0.0199 0.2347
Loa Loa (eye worm) acetylcholinesterase 1 0.0105 0.085 0.2969
Loa Loa (eye worm) hypothetical protein 0.0105 0.085 0.2969
Trypanosoma brucei hypothetical protein, conserved 0.0257 0.256 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0047 0.0199 0.2347
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0105 0.085 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0078 0.0272
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

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 3.25 um PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] ChEMBL. No reference
EC50 (functional) = 5.612 um PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)] ChEMBL. No reference
IC50 (functional) = 5.99 uM PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3G DNA Deaminase Inhibitors via a fluorescence-based single-stranded DNA deaminase assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493012, AID493028] ChEMBL. No reference
IC50 (functional) 64 uM PUBCHEM_BIOASSAY: Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID782] ChEMBL. No reference
IC50 (functional) > 100 uM PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3G DNA Deaminase Inhibitors via a A3A counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493012, AID493028] ChEMBL. No reference
Potency (functional) 1.122 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 3.5481 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 (binding) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Bibliographic References

No literature references available for this target.

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