Detailed information for compound 186975

Basic information

Technical information
  • TDR Targets ID: 186975
  • Name: 3-methyl-1-propyl-7H-purine-2,6-dione
  • MW: 208.217 | Formula: C9H12N4O2
  • H donors: 1 H acceptors: 3 LogP: 0.51 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCn1c(=O)c2nc[nH]c2n(c1=O)C
  • InChi: 1S/C9H12N4O2/c1-3-4-13-8(14)6-7(11-5-10-6)12(2)9(13)15/h5H,3-4H2,1-2H3,(H,10,11)
  • InChiKey: UEGOAAXVUJWIHJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-methyl-1-propyl-7H-purine-2,6-quinone
  • 1-methyl-3-propylxanthine
  • 72117-78-3
  • 1-MPX
  • 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-1-propyl-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Cavia porcellus Adenosine A1 receptor Starlite/ChEMBL References
Rattus norvegicus Adenosine A1 receptor Starlite/ChEMBL References
Homo sapiens adenosine A2a receptor Starlite/ChEMBL 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
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Adenosine A1 receptor   326 aa 317 aa 24.6 %
Schistosoma mansoni opsin-like receptor Adenosine A1 receptor   326 aa 309 aa 21.0 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 304 aa 21.1 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Adenosine A1 receptor   326 aa 321 aa 22.7 %
Echinococcus multilocularis neuropeptide receptor Adenosine A1 receptor   326 aa 299 aa 22.4 %
Echinococcus granulosus allatostatin A receptor Adenosine A1 receptor   326 aa 303 aa 24.1 %
Schistosoma mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 274 aa 22.6 %
Echinococcus granulosus thyrotropin releasing hormone receptor Adenosine A1 receptor   326 aa 321 aa 23.1 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Adenosine A1 receptor   326 aa 315 aa 21.6 %
Schistosoma japonicum Alpha-1A adrenergic receptor, putative Adenosine A1 receptor   326 aa 295 aa 28.1 %
Onchocerca volvulus Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog Adenosine A1 receptor   326 aa 286 aa 22.7 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 306 aa 21.2 %
Echinococcus granulosus neuropeptide receptor Adenosine A1 receptor   326 aa 299 aa 22.4 %
Schistosoma mansoni dro/myosuppressin receptor Adenosine A1 receptor   326 aa 326 aa 22.1 %
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Adenosine A1 receptor   326 aa 286 aa 26.9 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 323 aa 20.7 %
Brugia malayi hypothetical protein Adenosine A1 receptor   326 aa 305 aa 21.0 %
Echinococcus multilocularis allatostatin A receptor Adenosine A1 receptor   326 aa 303 aa 24.1 %
Loa Loa (eye worm) hypothetical protein Adenosine A1 receptor   326 aa 300 aa 24.3 %
Brugia malayi follicle stimulating hormone receptor adenosine A2a receptor 412 aa 336 aa 22.3 %
Loa Loa (eye worm) neuropeptide F receptor Adenosine A1 receptor   326 aa 316 aa 19.9 %
Schistosoma mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 311 aa 21.2 %
Schistosoma mansoni peptide (allatostatin)-like receptor Adenosine A1 receptor   326 aa 327 aa 24.8 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Adenosine A1 receptor   326 aa 340 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0032 0.0062 0.0062
Echinococcus multilocularis pyruvate kinase 0.3228 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0171 0.015
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0022 0.0022
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0122 0.0345 0.0324
Onchocerca volvulus Pyruvate kinase homolog 0.3228 1 1
Echinococcus multilocularis pyruvate kinase 0.3228 1 1
Leishmania major DNA polymerase kappa, putative 0.0022 0.0032 0.0021
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0171 0.015
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0032 0.001
Schistosoma mansoni hypothetical protein 0.0449 0.1359 0.1359
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0032 0.001
Schistosoma mansoni alpha-glucosidase 0.0159 0.0459 0.0459
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0014 0.0007 0.0007
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0126 0.0126
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0171 0.0171
Loa Loa (eye worm) pyruvate kinase 0.068 0.2079 0.2079
Toxoplasma gondii thioredoxin reductase 0.0054 0.0131 0.0109
Loa Loa (eye worm) hypothetical protein 0.0112 0.0312 0.0312
Echinococcus multilocularis pyruvate kinase 0.1657 0.5115 0.5115
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.0032 0.001
Trichomonas vaginalis pyruvate kinase, putative 0.3228 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0126 0.0126
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0032 0.0021
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0032 0.0021
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0022 0.5
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0022 0.001
Plasmodium falciparum pyruvate kinase 0.3228 1 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0014 0.0007 0.0007
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.0171 0.016
Loa Loa (eye worm) hypothetical protein 0.2252 0.6963 0.6963
Echinococcus multilocularis expressed conserved protein 0.0105 0.0291 0.0291
Trichomonas vaginalis mercuric reductase, putative 0.0019 0.0022 0.001
Loa Loa (eye worm) hypothetical protein 0.0022 0.0032 0.0032
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0092 0.008
Loa Loa (eye worm) hypothetical protein 0.0055 0.0134 0.0134
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0032 0.0021
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0032 0.001
Leishmania major hypothetical protein, conserved 0.0028 0.005 0.0038
Schistosoma mansoni hypothetical protein 0.0046 0.0108 0.0108
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0018 0.0018
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.0032 0.0021
Leishmania major alpha glucosidase II subunit, putative 0.0041 0.0092 0.008
Loa Loa (eye worm) hypothetical protein 0.3228 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0126 0.0126
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0092 0.0115
Echinococcus multilocularis pyruvate kinase 0.1657 0.5115 0.5115
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.005 0.0028
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.0032 0.0021
Loa Loa (eye worm) thioredoxin reductase 0.0054 0.0131 0.0131
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0032 0.0021
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0022 0.0022
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0003 0.0003
Schistosoma mansoni cpg binding protein 0.0033 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0017 0.0018 0.0018
Brugia malayi hypothetical protein 0.0018 0.002 0.002
Leishmania major pyruvate kinase 0.3228 1 1
Plasmodium falciparum glutathione reductase 0.0054 0.0131 0.0109
Echinococcus multilocularis protein dispatched 1 0.0055 0.0135 0.0135
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.0171 0.015
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0022 0.0022
Brugia malayi glutathione reductase 0.0054 0.0131 0.0131
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0048 0.0113 0.0113
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0022 0.0011
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0126 0.0126
Echinococcus multilocularis Niemann Pick C1 protein 0.016 0.0461 0.0461
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0092 0.008
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0032 0.0032
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0113 0.0102
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0022 0.5
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0022 0.0011
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0171 0.015
Toxoplasma gondii pyruvate kinase PyK1 0.3228 1 1
Onchocerca volvulus 0.0107 0.0297 0.0297
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0022 0.001
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0092 0.0115
Chlamydia trachomatis pyruvate kinase 0.3228 1 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0112 0.0312 0.0312
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0977 0.3001 0.3001
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0032 0.0021
Loa Loa (eye worm) glutathione reductase 0.0054 0.0131 0.0131
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.3228 1 1
Onchocerca volvulus Pyruvate kinase homolog 0.3228 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0136 0.0387 0.0044
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0185 0.0539 0.0539
Plasmodium falciparum thioredoxin reductase 0.0054 0.0131 0.0109
Echinococcus granulosus pyruvate kinase 0.3228 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0126 0.0126
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.0092 0.007
Schistosoma mansoni pyruvate kinase 0.3228 1 1
Echinococcus granulosus Niemann Pick C1 protein 0.016 0.0461 0.0461
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0022 0.001
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.005 0.0028
Echinococcus granulosus thioredoxin glutathione reductase 0.0054 0.0131 0.0131
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0122 0.0345 0.0324
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0126 0.0126
Onchocerca volvulus Pyruvate kinase homolog 0.3228 1 1
Schistosoma mansoni DNA polymerase eta 0.0022 0.0032 0.0032
Echinococcus granulosus GPCR family 2 0.0017 0.0018 0.0018
Brugia malayi pyruvate kinase, muscle isozyme 0.068 0.2079 0.2079
Echinococcus multilocularis sterol regulatory element binding protein 0.0048 0.0113 0.0113
Brugia malayi Pyruvate kinase, M2 isozyme 0.3228 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.005 0.0028
Schistosoma mansoni cpg binding protein 0.0033 0.0068 0.0068
Mycobacterium tuberculosis Probable dehydrogenase 0.0122 0.0345 0.0324
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.0171 0.0171
Leishmania major trypanothione reductase 0.0054 0.0131 0.012
Echinococcus multilocularis thioredoxin glutathione reductase 0.0054 0.0131 0.0131
Echinococcus multilocularis protein patched 0.0048 0.0113 0.0113
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0022 0.001
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0032 0.0032
Echinococcus granulosus geminin 0.0192 0.0562 0.0562
Loa Loa (eye worm) hypothetical protein 0.0028 0.005 0.005
Loa Loa (eye worm) pyruvate kinase-PB 0.2252 0.6963 0.6963
Schistosoma mansoni hypothetical protein 0.0037 0.0081 0.0081
Brugia malayi CHE-14 protein 0.0048 0.0113 0.0113
Plasmodium vivax thioredoxin reductase, putative 0.0054 0.0131 0.0109
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0062 0.0062
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0122 0.0345 0.0324
Trypanosoma brucei trypanothione reductase 0.0054 0.0131 0.012
Echinococcus granulosus cpg binding protein 0.0033 0.0068 0.0068
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0134 0.0134
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0092 0.008
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0018 0.0018
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0022 0.0022
Echinococcus multilocularis cpg binding protein 0.0033 0.0068 0.0068
Brugia malayi Niemann-Pick C1 protein precursor 0.0112 0.0312 0.0312
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0022 0.001
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0136 0.0387 0.0366
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0022 0.001
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0022 0.001
Trypanosoma brucei pyruvate kinase 1, putative 0.3228 1 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0032 0.0021
Loa Loa (eye worm) hypothetical protein 0.0048 0.0113 0.0113
Echinococcus multilocularis pyruvate kinase 0.1657 0.5115 0.5115
Echinococcus granulosus dna polymerase kappa 0.0022 0.0032 0.0032
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0032 0.0021
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0114 0.0317 0.0317
Echinococcus multilocularis lysosomal alpha glucosidase 0.0185 0.0539 0.0539
Brugia malayi Glycosyl hydrolases family 31 protein 0.0015 0.0012 0.0012
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0022 0.001
Giardia lamblia DINP protein human, muc B family 0.0022 0.0032 0.001
Trypanosoma cruzi pyruvate kinase 2, putative 0.3228 1 1
Trichomonas vaginalis glutathione reductase, putative 0.0019 0.0022 0.001
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0134 0.0134
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0122 0.0345 0.0324
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0018 0.0018
Mycobacterium tuberculosis Probable reductase 0.0122 0.0345 0.0324
Plasmodium vivax pyruvate kinase, putative 0.3228 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0018 0.0018
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0134 0.0134
Echinococcus granulosus pyruvate kinase 0.1657 0.5115 0.5115
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0032 0.0032
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0032 0.0021
Echinococcus granulosus pyruvate kinase 0.1657 0.5115 0.5115
Trichomonas vaginalis maltase-glucoamylase, putative 0.0041 0.0092 0.008
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0092 0.008
Schistosoma mansoni cpg binding protein 0.0032 0.0062 0.0062
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.0092 0.0092
Mycobacterium ulcerans pyruvate kinase 0.3228 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0136 0.0387 0.0366
Echinococcus granulosus dna polymerase eta 0.0022 0.0032 0.0032
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0003 0.0003
Treponema pallidum NADH oxidase 0.0019 0.0022 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0136 0.0387 0.0366
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0032 0.0032
Toxoplasma gondii pyruvate kinase PyKII 0.1657 0.5115 0.5104
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.005 0.0028
Loa Loa (eye worm) pyruvate kinase 0.3228 1 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0092 0.008
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0032 0.0021
Loa Loa (eye worm) hypothetical protein 0.0015 0.0012 0.0012
Schistosoma mansoni hypothetical protein 0.0012 0.0003 0.0003
Schistosoma mansoni hypothetical protein 0.0046 0.0108 0.0108
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0032 0.0032
Plasmodium falciparum pyruvate kinase 2 0.1657 0.5115 0.5104
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0092 0.008
Echinococcus granulosus lysosomal alpha glucosidase 0.0185 0.0539 0.0539
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0032 0.0021
Echinococcus granulosus pyruvate kinase 0.3228 1 1
Mycobacterium leprae Probable pyruvate kinase PykA 0.3228 1 1
Echinococcus granulosus expressed conserved protein 0.0105 0.0291 0.0291
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0112 0.0312 0.0431
Schistosoma mansoni alpha-glucosidase 0.0159 0.0459 0.0459
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0092 0.008
Echinococcus granulosus Protein patched homolog 1 0.0048 0.0113 0.0113
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0171 0.0171
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0032 0.0021
Echinococcus multilocularis pyruvate kinase 0.2548 0.7886 0.7886
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0022 0.001
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0032 0.0021
Trichomonas vaginalis sucrase-isomaltase, putative 0.0041 0.0092 0.008
Trypanosoma brucei pyruvate kinase 1 0.3228 1 1
Loa Loa (eye worm) pyruvate kinase 0.3228 1 1
Brugia malayi CXXC zinc finger family protein 0.0032 0.0062 0.0062
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0092 0.008
Echinococcus granulosus dnaJ subfamily B 0.0449 0.1359 0.1359
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.015 0.0128
Loa Loa (eye worm) hypothetical protein 0.0037 0.0081 0.0081
Brugia malayi pyruvate kinase 0.068 0.2079 0.2079
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0019 0.0022 0.0011
Trichomonas vaginalis pyruvate kinase, putative 0.3228 1 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0041 0.0092 0.0092
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.0171 0.015
Echinococcus multilocularis neutral alpha glucosidase AB 0.0041 0.0092 0.0092
Trypanosoma cruzi pyruvate kinase 2, putative 0.3228 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0185 0.0539 0.0539
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0032 0.0021
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0015 0.0012 0.0012
Leishmania major pyruvate kinase 0.3228 1 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0147 0.0147
Schistosoma mansoni pyruvate kinase 0.1657 0.5115 0.5115
Echinococcus multilocularis dnaJ subfamily B 0.0449 0.1359 0.1359
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0032 0.0021
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.0032 0.003
Schistosoma mansoni hypothetical protein 0.0017 0.0018 0.0018
Brugia malayi Glycosyl hydrolases family 31 protein 0.0185 0.0539 0.0539
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.0092 0.0092
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0032 0.0032
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0126 0.0126
Trypanosoma cruzi trypanothione reductase, putative 0.0054 0.0131 0.012
Schistosoma mansoni hypothetical protein 0.0046 0.0108 0.0108
Schistosoma mansoni hypothetical protein 0.0046 0.0108 0.0108
Trypanosoma brucei glucosidase, putative 0.0041 0.0092 0.0081
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0018 0.0018
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0022 0.001
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0054 0.0131 0.0109
Schistosoma mansoni hypothetical protein 0.0192 0.0562 0.0562
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0126 0.0126
Schistosoma mansoni patched 1 0.0048 0.0113 0.0113
Schistosoma mansoni hypothetical protein 0.0192 0.0562 0.0562
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0032 0.0032
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0032 0.0032
Echinococcus multilocularis geminin 0.0192 0.0562 0.0562
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.0032 0.0021
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0032 0.0021
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0032 0.0021
Echinococcus granulosus pyruvate kinase 0.1657 0.5115 0.5115
Echinococcus multilocularis GPCR, family 2 0.0017 0.0018 0.0018
Leishmania major DNA polymerase eta, putative 0.0022 0.0032 0.0021
Trypanosoma brucei unspecified product 0.0022 0.0032 0.0021
Echinococcus granulosus Niemann Pick C1 protein 0.0112 0.0312 0.0312
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0018 0.0018
Brugia malayi Thioredoxin reductase 0.0054 0.0131 0.0131
Plasmodium vivax pyruvate kinase 2, putative 0.1657 0.5115 0.5104
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0092 0.008
Giardia lamblia Pyruvate kinase 0.1657 0.5115 0.5104
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.005 0.0039
Brugia malayi hypothetical protein 0.0028 0.005 0.005
Echinococcus multilocularis dna polymerase eta 0.0022 0.0032 0.0032
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0018 0.0018
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0022 0.001
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0067 0.0172 0.0172
Schistosoma mansoni pyruvate kinase 0.3228 1 1
Entamoeba histolytica pyruvate kinase, putative 0.2252 0.6963 1
Schistosoma mansoni hypothetical protein 0.0017 0.0018 0.0018
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0032 0.0021
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0032 0.0021
Giardia lamblia Pyruvate kinase 0.3228 1 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0022 0.001
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0081 0.0081
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.005 0.0038
Loa Loa (eye worm) pyruvate kinase 0.3228 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0032 0.0021
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0022 0.001
Echinococcus granulosus sterol regulatory element binding protein 0.0048 0.0113 0.0113
Trypanosoma brucei glycosyl hydrolase-like protein 0.0015 0.0012 0.0001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0126 0.0126
Schistosoma mansoni hypothetical protein 0.0017 0.0018 0.0018
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.0171 0.0171
Schistosoma mansoni alpha glucosidase 0.0041 0.0092 0.0092
Plasmodium vivax glutathione reductase, putative 0.0054 0.0131 0.0109
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0019 0.0022 0.0011
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.005 0.0038
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0018 0.0018

Activities

Activity type Activity value Assay description Source Reference
Broncho selectivity (functional) = 3.7 Ratio of stimulatory activity in right atrium to relaxant activity in tracheal muscle ChEMBL. 1331453
EC15 (functional) = 36.2 uM Positive chronotropic effect on isolated guinea pig right atrium (heart stimulation). ChEMBL. 1331453
EC15 (functional) = 36.2 uM Positive chronotropic effect on isolated guinea pig right atrium (heart stimulation). ChEMBL. 1331453
EC50 (functional) = 9.6 uM Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains. ChEMBL. 1331453
EC50 (functional) = 9.6 uM Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains. ChEMBL. 1331453
Ki (binding) = 3.4 uM Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX. ChEMBL. 1331453
Ki (binding) = 3.4 uM Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX. ChEMBL. 1331453
Ki (binding) = 5.7 uM Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [3H]-N6-R-phenylisopropyladenosine (R-PIA) as radioligand ChEMBL. 8230124
Ki (binding) = 5.7 uM Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [3H]-N6-R-phenylisopropyladenosine (R-PIA) as radioligand ChEMBL. 8230124
Ki (binding) = 26 uM Inhibition of c-AMP phosphodiesterase activity in guinea pig tracheal muscle ChEMBL. 1331453
Ki (binding) = 26 uM Inhibition of c-AMP phosphodiesterase activity in guinea pig tracheal muscle ChEMBL. 1331453
Ki (binding) = 37 uM Binding affinity against Adenosine A2 receptor in rat striatal membranes using [3H]-5''-N-ethylcarboxamidoadenosine (NECA) as the ligand ChEMBL. 8230124
Ki (binding) = 37 uM Binding affinity against Adenosine A2 receptor in rat striatal membranes using [3H]-5''-N-ethylcarboxamidoadenosine (NECA) as the ligand ChEMBL. 8230124

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

2 literature references were collected for this gene.

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