Detailed information for compound 1201692

Basic information

Technical information
  • TDR Targets ID: 1201692
  • Name: 2-(5,6-dimethylthieno[3,2-e]pyrimidin-4-yl)su lfanylpropanenitrile
  • MW: 249.355 | Formula: C11H11N3S2
  • H donors: 0 H acceptors: 3 LogP: 3.35 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC(Sc1ncnc2c1c(C)c(s2)C)C
  • InChi: 1S/C11H11N3S2/c1-6(4-12)15-10-9-7(2)8(3)16-11(9)14-5-13-10/h5-6H,1-3H3
  • InChiKey: YVKGJFUJHUORHU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(5,6-dimethyl-4-thieno[3,2-e]pyrimidinyl)thio]propanenitrile
  • 2-[(5,6-dimethylthieno[3,2-e]pyrimidin-4-yl)thio]propionitrile
  • MLS000058256
  • SMR000065193
  • T5422481

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0035 0.0035
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.03 0.0716
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0616 0.2287
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.03 0.103
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0084 0.0651 0.0913
Echinococcus granulosus segment polarity protein dishevelled 0.0018 0.0085 0.0115
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0304 0.1049
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0023 0.002
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0043 0.0304 0.0302
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0126 0.6193
Mycobacterium ulcerans Type I modular polyketide synthase 0.0026 0.0157 0.1194
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.046 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0089 0.0086
Loa Loa (eye worm) hypothetical protein 0.0012 0.0035 0.0033
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0201 0.028
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0313 0.2627 0.2625
Loa Loa (eye worm) RNA binding protein 0.0313 0.2627 0.2625
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0304 0.6296
Mycobacterium ulcerans Type I modular polyketide synthase 0.0026 0.0157 0.1194
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0013 0.004 0.0053
Loa Loa (eye worm) fatty acid synthase 0.0026 0.0154 0.0151
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0035 0.0046
Schistosoma mansoni Smad4 0.0033 0.0217 0.0302
Loa Loa (eye worm) hypothetical protein 0.0012 0.0035 0.0033
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0304 0.0425
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.046 0.9272
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0526 0.0738
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0017 0.0077 0.1511
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0025 0.0142 0.0139
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.046 0.0644
Schistosoma mansoni hypothetical protein 0.0084 0.0651 0.0913
Brugia malayi TAR-binding protein 0.0313 0.2627 0.2627
Brugia malayi RasGEF domain containing protein 0.0013 0.004 0.004
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0526 0.4005
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0026 0.0157 0.513
Echinococcus granulosus microtubule associated protein 2 0.0833 0.7098 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0033 0.0217 0.0302
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0526 0.0738
Brugia malayi N-terminal motif family protein 0.0013 0.004 0.004
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0018 0.0085 0.0085
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0031 0.0201 0.0868
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0035 0.0033
Loa Loa (eye worm) hypothetical protein 0.0012 0.0035 0.0033
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0035 0.0033
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0126 0.0173
Echinococcus granulosus segment polarity protein dishevelled 0.0018 0.0085 0.0115
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0305 0.2557 1
Brugia malayi Egg laying defective protein 4 0.0008 0.0003 0.0003
Echinococcus granulosus Protein son of sevenless 0.0013 0.004 0.0053
Toxoplasma gondii hypothetical protein 0.0018 0.0085 0.1661
Brugia malayi Latrophilin receptor protein 2 0.037 0.3116 0.3116
Brugia malayi ecdysteroid receptor 0.0012 0.0035 0.0035
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.033 0.0461
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0026 0.015 0.0646
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0035 0.0035
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0013 0.004 0.0053
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0126 0.2035
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.037 0.3116 0.4388
Schistosoma mansoni smad 0.0015 0.0059 0.0079
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0304 0.1312
Onchocerca volvulus Fatty acid synthase homolog 0.0047 0.0339 0.1001
Brugia malayi RNA binding protein 0.0313 0.2627 0.2627
Echinococcus granulosus mothers against decapentaplegic 6 0.0015 0.0059 0.0079
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0026 0.0157 0.0676
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0008 0.0003 0.0005
Loa Loa (eye worm) MH2 domain-containing protein 0.0033 0.0217 0.0215
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0201 0.028
Loa Loa (eye worm) hypothetical protein 0.0163 0.1332 0.1329
Echinococcus granulosus ras GTP exchange factor 0.0013 0.004 0.0053
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0035 0.0046
Onchocerca volvulus 0.0043 0.0304 0.0888
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.0526 0.2269
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0028 0.0171 0.5594
Echinococcus multilocularis mothers against decapentaplegic 6 0.0015 0.0059 0.0079
Mycobacterium leprae Polyketide synthase Pks13 0.0039 0.0269 0.8829
Loa Loa (eye worm) hypothetical protein 0.08 0.6814 0.6813
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0616 0.0616
Loa Loa (eye worm) hypothetical protein 0.0084 0.0651 0.0648
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0035 0.0033
Brugia malayi Smad1 0.0033 0.0217 0.0217
Loa Loa (eye worm) hypothetical protein 0.0012 0.0035 0.0033
Brugia malayi nuclear receptor NHR-88 0.0012 0.0035 0.0035
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.082 0.6983 0.9839
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.037 0.3116 0.4388
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0035 0.0046
Toxoplasma gondii exonuclease III APE 0.0023 0.0126 0.2494
Mycobacterium tuberculosis Conserved hypothetical protein 0.0161 0.1314 0.5665
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0304 0.6296
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0305 0.2557 1
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0022 0.0116 0.0498
Mycobacterium ulcerans beta-lactamase 0.0043 0.0304 0.2316
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0017 0.008 0.061
Echinococcus multilocularis mothers against decapentaplegic 5 0.0033 0.0217 0.0302
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.046 0.0644
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0304 0.1312
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0008 0.0002 0.0007
Loa Loa (eye worm) transcription factor SMAD2 0.049 0.4143 0.4141
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0304 0.6296
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0013 0.004 0.0053
Mycobacterium tuberculosis Conserved protein 0.0043 0.0304 0.1312
Brugia malayi RasGEF domain containing protein 0.0013 0.004 0.004
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0028 0.0171 0.1301
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0035 0.0046
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0126 0.5
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0496 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0035 0.0033
Brugia malayi MH1 domain containing protein 0.0033 0.0217 0.0217
Mycobacterium ulcerans lipase LipD 0.0043 0.0304 0.2316
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0035 0.0046
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0019 0.0093 0.0401
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0035 0.0046
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0035 0.0046
Brugia malayi steroid hormone receptor 0.0012 0.0035 0.0035
Onchocerca volvulus 0.0035 0.0229 0.0638
Schistosoma mansoni hypothetical protein 0.037 0.3116 0.4388
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.046 0.1788
Onchocerca volvulus 0.0046 0.0325 0.0954
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0035 0.0035
Onchocerca volvulus 0.0043 0.0304 0.0888
Brugia malayi N-terminal motif family protein 0.0365 0.3066 0.3066
Brugia malayi mothers against decapentaplegic homolog 3 0.0015 0.0059 0.0059
Schistosoma mansoni ap endonuclease 0.0023 0.0126 0.0173
Schistosoma mansoni smad1 5 8 and 0.0033 0.0217 0.0302
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0028 0.0171 0.1301
Mycobacterium tuberculosis Conserved protein 0.0043 0.0304 0.1312
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0028 0.0171 0.0737
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0021 0.0021
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0021 0.0113 0.0857
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0039 0.0269 0.1159
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.046 0.1788
Brugia malayi DIX domain containing protein 0.0018 0.0085 0.0085
Mycobacterium tuberculosis Conserved protein 0.0043 0.0304 0.1312
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0004 0.0002
Mycobacterium ulcerans thioesterase 0.0022 0.0119 0.0906
Echinococcus granulosus GPCR family 2 0.037 0.3116 0.4388
Schistosoma mansoni dishevelled 0.0018 0.0085 0.0115
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0028 0.0171 0.0737
Schistosoma mansoni smad 0.0033 0.0217 0.0302
Mycobacterium ulcerans polyketide synthase 0.0026 0.0157 0.1194
Toxoplasma gondii hypothetical protein 0.0049 0.0354 0.7129
Loa Loa (eye worm) hypothetical protein 0.1171 1 1
Schistosoma mansoni dishevelled 0.0018 0.0085 0.0115
Toxoplasma gondii type I fatty acid synthase, putative 0.0028 0.0171 0.3412
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0035 0.0046
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0013 0.004 0.0053
Loa Loa (eye worm) hypothetical protein 0.0043 0.0304 0.0302
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0004 0.0002
Mycobacterium ulcerans polyketide synthase Pks13 0.0039 0.0269 0.2046
Loa Loa (eye worm) latrophilin receptor protein 2 0.037 0.3116 0.3115
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0026 0.0157 0.0676
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0035 0.0046
Echinococcus multilocularis regulator of G protein signaling 7 0.0018 0.0085 0.0115
Onchocerca volvulus 0.0025 0.0142 0.0352
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0031 0.0201 0.028
Onchocerca volvulus 0.0043 0.0304 0.0888
Brugia malayi RNA recognition motif domain containing protein 0.0313 0.2627 0.2627
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0381 0.1352
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0035 0.0046
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0035 0.0046
Onchocerca volvulus 0.0018 0.0085 0.0163
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0304 0.0425
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.046 0.1666
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0026 0.0157 0.1194
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0035 0.0035
Schistosoma mansoni apoptosis regulator bax 0.0084 0.0651 0.0913
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0038
Toxoplasma gondii type I fatty acid synthase, putative 0.0019 0.0092 0.1801
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0616 0.0864
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0035 0.0046
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0304 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0057 0.0054
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0616 0.2016
Schistosoma mansoni Smad4 0.0015 0.0059 0.0079
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0126 0.0339
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0327 0.0457
Loa Loa (eye worm) hypothetical protein 0.0365 0.3066 0.3064
Schistosoma mansoni tar DNA-binding protein 0.0313 0.2627 0.3698
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0201 0.0777
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0035 0.0046
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.046 0.1666
Loa Loa (eye worm) isocitrate dehydrogenase 0.0031 0.0201 0.0198
Loa Loa (eye worm) hypothetical protein 0.0018 0.0085 0.0082
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.037 0.3116 0.4388
Echinococcus multilocularis mothers against decapentaplegic 2 0.0015 0.0059 0.0079
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.033 0.0461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.033 0.0461
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0327 0.0457
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0126 0.0339
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0563 0.079
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0616 0.24
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0126 0.0123
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0084 0.0651 0.0651
Loa Loa (eye worm) hypothetical protein 0.0043 0.0304 0.0302
Mycobacterium ulcerans hypothetical protein 0.0043 0.0304 0.2316
Mycobacterium tuberculosis Probable thioesterase TesA 0.0022 0.0119 0.0513
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0304 0.2316
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0035 0.0046
Schistosoma mansoni cpg binding protein 0.0037 0.0246 0.0342
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0038
Loa Loa (eye worm) hypothetical protein 0.0043 0.0304 0.0302
Loa Loa (eye worm) apoptosis regulator protein 0.0084 0.0651 0.0648
Toxoplasma gondii ABC1 family protein 0.0043 0.0304 0.612
Loa Loa (eye worm) hypothetical protein 0.0044 0.0311 0.0308
Brugia malayi Calcitonin receptor-like protein seb-1 0.1171 1 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0304 0.0304
Echinococcus granulosus Pleckstrin G protein interacting region 0.0018 0.0085 0.0115
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0035 0.0046
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0004 0.0002
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.046 1
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0012 0.0035 0.0045
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0616 0.0864
Schistosoma mansoni cpg binding protein 0.0035 0.0229 0.0318
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0304 0.0302
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0023 0.0028
Schistosoma mansoni hypothetical protein 0.0494 0.4179 0.5886
Schistosoma mansoni hypothetical protein 0.037 0.3116 0.4388
Loa Loa (eye worm) hypothetical protein 0.0012 0.0035 0.0033
Loa Loa (eye worm) hypothetical protein 0.037 0.3116 0.3115
Loa Loa (eye worm) hypothetical protein 0.0043 0.0304 0.0302
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0201 0.0311
Schistosoma mansoni coup transcription factor 0.0012 0.0035 0.0046
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.03 0.103
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0229 0.0226
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.7098 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0031 0.0201 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0616 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0033 0.0217 0.0302
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.232 1
Brugia malayi MH2 domain containing protein 0.049 0.4143 0.4143
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0018 0.0085 0.0115
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0035 0.0046
Loa Loa (eye worm) DIX domain-containing protein 0.0018 0.0085 0.0082
Echinococcus multilocularis cpg binding protein 0.0037 0.0246 0.0342
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0004 0.0002
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0035 0.0035
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0035 0.0046
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0126 0.0481
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0486 0.0483
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.046 0.1666
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.046 0.0457
Schistosoma mansoni dep domain containing protein 0.0018 0.0085 0.0115
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0026 0.0157 0.0676
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0304 0.1312
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0304 0.0425
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0035 0.0046
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0304 0.1049
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0031 0.0201 0.028
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.046 1
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0018 0.0085 0.0115
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.033 0.0461
Brugia malayi MAP kinase sur-1 0.0062 0.046 0.046
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0035 0.0046
Brugia malayi MH2 domain containing protein 0.0033 0.0217 0.0217
Loa Loa (eye worm) hypothetical protein 0.0012 0.0035 0.0033
Schistosoma mansoni ap endonuclease 0.0023 0.0126 0.0173
Onchocerca volvulus 0.0013 0.004 0.0017
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0526 0.4005
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.046 0.0644
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0035 0.0035
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0026 0.0157 0.0157
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0035 0.0033
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.033 0.033
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0035 0.0046
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0022 0.0119 0.3883
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0616 0.0613
Brugia malayi hypothetical protein 0.0163 0.1332 0.1332
Loa Loa (eye worm) hypothetical protein 0.0012 0.0035 0.0033
Loa Loa (eye worm) beta-lactamase 0.0043 0.0304 0.0302
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0145 0.1174 0.431
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0028 0.0171 0.5594
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0035 0.0046
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0031 0.0201 0.0639
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0616 0.0864
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.046 1
Echinococcus granulosus rap guanine nucleotide exchange factor 6 0.0013 0.004 0.0053
Echinococcus multilocularis son of sevenless 1 0.0013 0.004 0.0053
Schistosoma mansoni tar DNA-binding protein 0.0313 0.2627 0.3698
Echinococcus multilocularis isocitrate dehydrogenase 0.0031 0.0201 0.028
Schistosoma mansoni hypothetical protein 0.0084 0.0651 0.0913
Schistosoma mansoni tar DNA-binding protein 0.0313 0.2627 0.3698
Brugia malayi latrophilin 2 splice variant baaae 0.08 0.6814 0.6814
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.0012 0.0035 0.0033
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0126 0.5
Schistosoma mansoni smad1 5 8 and 0.0033 0.0217 0.0302
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0011 0.0022 0.0095
Brugia malayi hypothetical protein 0.0018 0.0085 0.0085
Schistosoma mansoni hypothetical protein 0.08 0.6814 0.96
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0015 0.0059 0.0255
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.046 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0018 0.0085 0.0082
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0304 0.0735
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0304 0.6296
Echinococcus granulosus cpg binding protein 0.0037 0.0246 0.0342
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0126 0.1482
Leishmania major hypothetical protein, conserved 0.0043 0.0304 0.118
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0035 0.0046
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0035 0.0033
Brugia malayi regulator of G-protein signaling egl-10 0.0018 0.0085 0.0085
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0304 0.2316
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0021 0.0113 0.3668
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0201 0.4027
Echinococcus multilocularis rap guanine nucleotide exchange factor 1 0.0013 0.004 0.0053
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0035 0.0046
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.037 0.3116 0.4388
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0035 0.0046
Echinococcus granulosus mothers against decapentaplegic 2 0.0015 0.0059 0.0079
Loa Loa (eye worm) MH1 domain-containing protein 0.0033 0.0217 0.0215
Echinococcus multilocularis segment polarity protein dishevelled 0.0018 0.0085 0.0115
Mycobacterium ulcerans polyketide synthase Pks9 0.0017 0.008 0.061
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0201 0.4027
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0304 0.0425
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0035 0.0035
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0126 0.2035
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0026 0.015 0.0646
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0035 0.0046
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0304 0.6296
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0035 0.0035
Echinococcus granulosus Smad4 0.0033 0.0217 0.0302
Echinococcus granulosus dnaJ subfamily B 0.0494 0.4179 0.5886
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0021 0.0113 0.0857
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.033 0.0328
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0023 0.0028
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.037 0.3116 0.3116
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.046 0.1373
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0035 0.0035
Loa Loa (eye worm) nuclear factor I 0.0018 0.0089 0.0086
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0018 0.0085 0.0085
Schistosoma mansoni tar DNA-binding protein 0.0313 0.2627 0.3698
Schistosoma mansoni z-protein (S1r protein) 0.0018 0.0085 0.0115
Schistosoma mansoni hypothetical protein 0.0084 0.0651 0.0913
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0035 0.0035
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0035 0.0033
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0009 0.0008 0.0035
Echinococcus multilocularis Protein son of sevenless 0.0013 0.004 0.0053
Brugia malayi N-terminal motif family protein 0.0013 0.004 0.004
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0035 0.0046
Echinococcus multilocularis smad 0.0033 0.0217 0.0302
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.0526 0.0526
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0201 0.028
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1171 1 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0145 0.1174 0.4583
Loa Loa (eye worm) RasGEF domain-containing protein 0.0013 0.004 0.0038
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0084 0.0651 0.0913
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0305 0.2557 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0035 0.0033
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0304 0.1312
Brugia malayi MH1 domain containing protein 0.0033 0.0217 0.0217
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0039 0.0269 0.1159
Echinococcus multilocularis segment polarity protein dishevelled 0.0018 0.0085 0.0115
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0616 0.2287
Schistosoma mansoni ras GTP exchange factor 0.0013 0.004 0.0053
Mycobacterium ulcerans polyketide synthase 0.0028 0.0171 0.1301
Schistosoma mansoni hypothetical protein 0.037 0.3116 0.4388
Loa Loa (eye worm) RasGEF domain-containing protein 0.0013 0.004 0.0038
Echinococcus granulosus regulator of G protein signaling 7 0.0018 0.0085 0.0115
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0031 0.0201 0.0311
Mycobacterium leprae Probable lipase LipE 0.0043 0.0304 1
Echinococcus granulosus tar DNA binding protein 0.0313 0.2627 0.3698
Brugia malayi beta-lactamase family protein 0.0043 0.0304 0.0304
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0126 0.4073
Brugia malayi MH1 domain containing protein 0.0018 0.0089 0.0089
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0035 0.0035
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0017 0.008 0.2596
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0035 0.0035
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.046 0.1666
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0201 0.0639
Leishmania major mitochondrial DNA polymerase beta 0.0305 0.2557 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.033 0.0461
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0015 0.0059 0.0077
Echinococcus multilocularis rap guanine nucleotide exchange factor 6 0.0013 0.004 0.0053
Brugia malayi Isocitrate dehydrogenase 0.0031 0.0201 0.0201
Loa Loa (eye worm) TAR-binding protein 0.0313 0.2627 0.2625
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.033 0.0461
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0018 0.0085 0.0163
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0031 0.0201 0.6579
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.046 0.0644
Mycobacterium ulcerans thioesterase TesA 0.0022 0.0119 0.0906
Brugia malayi MH2 domain containing protein 0.0015 0.0059 0.0059
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.0526 0.0738
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0084 0.0651 0.0913
Loa Loa (eye worm) hypothetical protein 0.0018 0.0085 0.0082
Brugia malayi MH1 domain containing protein 0.0018 0.0089 0.0089
Echinococcus granulosus son of sevenless 1 0.0013 0.004 0.0053
Loa Loa (eye worm) MH2 domain-containing protein 0.0015 0.0059 0.0056
Echinococcus granulosus smad 0.0033 0.0217 0.0302
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0304 0.1312
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.005 0.036 0.036
Echinococcus granulosus regulator of G protein signaling 7 0.0018 0.0085 0.0115
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0031 0.0201 0.028
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0035 0.0035
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0013 0.004 0.0017
Loa Loa (eye worm) Smad1 0.0033 0.0217 0.0215
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0084 0.0651 0.0913
Mycobacterium leprae Probable polyketide synthase Pks1 0.0028 0.0171 0.5594
Trichomonas vaginalis esterase, putative 0.0043 0.0304 0.6296
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0035 0.0035
Loa Loa (eye worm) RasGEF domain-containing protein 0.0013 0.004 0.0038
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0304 0.1312
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0004 0.0002
Loa Loa (eye worm) hypothetical protein 0.0015 0.0059 0.0056
Echinococcus multilocularis regulator of G protein signaling 7 0.0018 0.0085 0.0115
Brugia malayi MH2 domain containing protein 0.0033 0.0217 0.0217
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0035 0.0035
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0035 0.0046
Schistosoma mansoni tar DNA-binding protein 0.0313 0.2627 0.3698
Brugia malayi beta-lactamase 0.0043 0.0304 0.0304
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.4179 0.5886
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0033 0.0217 0.0302
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.7098 1
Schistosoma mansoni hypothetical protein 0.037 0.3116 0.4388
Echinococcus multilocularis Smad4 0.0033 0.0217 0.0302
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0035 0.0046
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.033 0.0461
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0304 0.1312
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0142 0.0142
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0145 0.1174 0.4502
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0126 0.0542
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0126 0.0173
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0304 1
Loa Loa (eye worm) MH2 domain-containing protein 0.049 0.4143 0.4141
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0035 0.0046
Echinococcus multilocularis tar DNA binding protein 0.0313 0.2627 0.3698
Loa Loa (eye worm) hypothetical protein 0.0018 0.0085 0.0082
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0028 0.0171 0.0737
Loa Loa (eye worm) hypothetical protein 0.0043 0.0304 0.0302
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0084 0.0651 0.0913
Mycobacterium ulcerans hypothetical protein 0.0161 0.1314 1
Echinococcus multilocularis ras GTP exchange factor 0.0013 0.004 0.0053
Loa Loa (eye worm) acyl carrier protein 0.0012 0.0035 0.0032
Trypanosoma brucei protein kinase, putative 0.0062 0.046 0.1373
Schistosoma mansoni regulator of G protein signaling 0.0018 0.0085 0.0115
Brugia malayi isocitrate dehydrogenase 0.0031 0.0201 0.0201
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.046 0.0644
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0013 0.0045 0.0852
Brugia malayi nuclear hormone receptor 0.0012 0.0035 0.0035
Echinococcus granulosus mothers against decapentaplegic 5 0.0033 0.0217 0.0302
Echinococcus multilocularis GPCR, family 2 0.037 0.3116 0.4388
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.0526 0.2049
Mycobacterium ulcerans Type I modular polyketide synthase 0.0026 0.0157 0.1194
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0035 0.0046
Echinococcus granulosus rap guanine nucleotide exchange factor 1 0.0013 0.004 0.0053
Onchocerca volvulus 0.0163 0.1332 0.4278
Schistosoma mansoni smad1 5 8 and 0.0033 0.0217 0.0302
Loa Loa (eye worm) MH1 domain-containing protein 0.0015 0.0059 0.0056
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.03 0.103
Brugia malayi hypothetical protein 0.0018 0.0085 0.0085
Mycobacterium ulcerans fatty acid synthase Fas 0.0008 0.0002 0.0011
Brugia malayi beta-lactamase family protein 0.0043 0.0304 0.0304
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0025 0.0142 0.0612
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0126 0.0957
Schistosoma mansoni Smad4 0.0015 0.0059 0.0079
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0026 0.0157 0.513
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0365 0.3066 1
Brugia malayi RasGEF domain containing protein 0.0013 0.004 0.004
Brugia malayi CXXC zinc finger family protein 0.0035 0.0229 0.0229
Schistosoma mansoni cpg binding protein 0.0037 0.0246 0.0342

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 29.0929 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

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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