Detailed information for compound 35214

Basic information

Technical information
  • TDR Targets ID: 35214
  • Name: 1-(3-aminophenyl)-3-methyl-7-propoxychromeno[ 2,3-c]pyrazol-4-one
  • MW: 349.383 | Formula: C20H19N3O3
  • H donors: 1 H acceptors: 2 LogP: 3.85 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCOc1ccc2c(c1)oc1c(c2=O)c(nn1c1cccc(c1)N)C
  • InChi: 1S/C20H19N3O3/c1-3-9-25-15-7-8-16-17(11-15)26-20-18(19(16)24)12(2)22-23(20)14-6-4-5-13(21)10-14/h4-8,10-11H,3,9,21H2,1-2H3
  • InChiKey: CNVCMHBGCYLUSY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3-aminophenyl)-3-methyl-7-propoxy-chromeno[2,3-c]pyrazol-4-one
  • 1-(3-aminophenyl)-3-methyl-7-propoxy-4-[1]benzopyrano[2,3-c]pyrazolone
  • 1-(3-aminophenyl)-3-methyl-7-propoxychromeno[3,2-d]pyrazol-4-one
  • 1-(3-aminophenyl)-3-methyl-7-propoxy-chromeno[3,2-d]pyrazol-4-one
  • 1-(3-aminophenyl)-3-methyl-7-propoxy-4-chromeno[3,2-d]pyrazolone

Targets

Known targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis BRK domain containing protein 0.0011 0.0014 0.0156
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0029 0.0479
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.001 0.0118
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0031 0.0346
Brugia malayi glutaminase DH11.1 0.0268 0.0586 0.0807
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0023 0.0083
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0302 0.0662 1
Trypanosoma brucei unspecified product 0.0013 0.0017 0.0063
Schistosoma mansoni helicase 0.0006 0.0001 0.0013
Schistosoma mansoni DNA (cytosine-5)-methyltransferase 0.0019 0.0032 0.0357
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0051 0.0582
Loa Loa (eye worm) steroid hormone receptor 0.001 0.001 0.0158
Loa Loa (eye worm) glutaminase 2 0.0268 0.0586 0.8861
Brugia malayi MH2 domain containing protein 0.0117 0.0249 0.0343
Loa Loa (eye worm) hypothetical protein 0.0146 0.0315 0.4762
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0039 0.0669
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0029 0.0334
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.001 0.0014
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0296 0.0649 0.2379
Loa Loa (eye worm) hypothetical protein 0.0006 0.0002 0.0029
Echinococcus granulosus flap endonuclease 1 0.0026 0.0045 0.0513
Brugia malayi MH2 domain containing protein 0.0008 0.0006 0.0008
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0031 0.0517
Trypanosoma brucei telomerase reverse transcriptase 0.1225 0.2723 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.001 0.0158
Brugia malayi Smad1 0.0008 0.0006 0.0008
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1225 0.2723 1
Entamoeba histolytica hypothetical protein 0.0035 0.0067 0.0892
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0031 0.0111
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0006 0.0069
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0031 0.0111
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0008 0.0117
Schistosoma mansoni smad1 5 8 and 0.0008 0.0006 0.0069
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.0158
Plasmodium falciparum importin beta, putative 0.0028 0.0051 0.0188
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0249 0.377
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0029 0.0107
Onchocerca volvulus 0.0061 0.0124 0.0123
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0029 0.0107
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0031 0.0346
Toxoplasma gondii C-5 cytosine-specific DNA methylase superfamily protein 0.0019 0.0032 0.0115
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0003 0.0039
Brugia malayi Muscleblind-like protein 0.0146 0.0315 0.0434
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.001 0.0118
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0031 0.0346
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0008 0.0088
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0026 0.0045 0.0161
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.001 0.0118
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.001 0.0014
Entamoeba histolytica hypothetical protein 0.0035 0.0067 0.0892
Echinococcus granulosus geminin 0.0166 0.0359 0.4065
Loa Loa (eye worm) Smad1 0.0008 0.0006 0.0092
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.001 0.0014
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0003 0.0039
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.001 0.0118
Echinococcus multilocularis transportin 1 0.0005 0 0.0003
Echinococcus granulosus helicase 0.0006 0.0001 0.0013
Echinococcus granulosus translational activator gcn1 0.0005 0 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.001 0.0014
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.001 0.0118
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0023 0.0079
Echinococcus granulosus Helicase SANT associated DNA binding 0.0006 0.0001 0.0013
Schistosoma mansoni DNA polymerase eta 0.0019 0.0031 0.0346
Loa Loa (eye worm) glutaminase 0.0268 0.0586 0.8861
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.001 0.0014
Plasmodium vivax DNA repair protein REV1, putative 0.0006 0.0001 0.0004
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0003 0.0039
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0023 0.0079
Leishmania major modification methylase-like protein 0.0019 0.0032 0.0115
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0031 0.0498
Brugia malayi Importin beta-1 subunit 0.0028 0.0051 0.0071
Trypanosoma brucei chrX additional, unordered contigs 0.0006 0.0001 0.0004
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0006 0.0001 0.0004
Trypanosoma brucei hypothetical protein, conserved 0.0006 0.0001 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.001 0.0014
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0031 0.0107
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0003 0.0039
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0023 0.0083
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0029 0.0103
Toxoplasma gondii SWI2/SNF2 Brahma-like putative 0.0012 0.0015 0.0054
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0031 0.0517
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0008 0.001
Echinococcus multilocularis global transcription activator snf2l2 0.0066 0.0135 0.1531
Echinococcus granulosus snurportin 1 0.0302 0.0662 0.7493
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0029 0.039
Echinococcus granulosus Chromo domain 0.0011 0.0014 0.0156
Toxoplasma gondii exonuclease III APE 0.0018 0.0029 0.0107
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.001 0.0118
Echinococcus granulosus cpg binding protein 0.0063 0.0128 0.145
Schistosoma mansoni importin-beta 2 0.0005 0 0.0003
Echinococcus multilocularis helicase 0.0006 0.0001 0.0013
Schistosoma mansoni smad 0.0008 0.0006 0.0069
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0051 0.0188
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.0158
Echinococcus multilocularis geminin 0.0166 0.0359 0.4065
Loa Loa (eye worm) BRM protein 0.0042 0.0082 0.1241
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0003 0.0039
Echinococcus multilocularis smad 0.0008 0.0006 0.0069
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.001 0.0118
Mycobacterium tuberculosis Conserved hypothetical protein 0.0156 0.0336 1
Echinococcus granulosus DNA methyltransferase 2, putative 0.0019 0.0032 0.0357
Loa Loa (eye worm) kap beta 3 protein 0.0005 0 0.0004
Schistosoma mansoni Smad4 0.0008 0.0006 0.0069
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0004 0.0044
Entamoeba histolytica Flap nuclease, putative 0.0026 0.0045 0.0602
Giardia lamblia Telomerase catalytic subunit 0.1225 0.2723 1
Leishmania major DNA damage repair protein, putative 0.0006 0.0001 0.0004
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0003 0.0039
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0006 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.001 0.0014
Loa Loa (eye worm) importin-beta domain-containing protein 0.0005 0 0.0004
Onchocerca volvulus 0.001 0.001 0.0009
Brugia malayi nuclear hormone receptor 0.001 0.001 0.0014
Brugia malayi ecdysteroid receptor 0.001 0.001 0.0014
Entamoeba histolytica hypothetical protein 0.0097 0.0205 0.2731
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.001 0.0118
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0023 0.0259
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0023 0.0031
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0081 0.0293
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0026 0.0045 0.0165
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0045 0.0513
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0006 0.0001 0.0004
Schistosoma mansoni thyroid hormone receptor 0.001 0.001 0.0118
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0006 0.0092
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.0301 0.11
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0031 0.0111
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0023 0.0259
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.001 0.0014
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0003 0.0039
Brugia malayi Steroid receptor seven-up type 2 0.001 0.001 0.0014
Brugia malayi isocitrate dehydrogenase 0.0015 0.0023 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.001 0.0014
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.001 0.0118
Trypanosoma brucei DNA polymerase kappa, putative 0.0006 0.0001 0.0004
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0029 0.0498
Schistosoma mansoni nuclear hormone receptor 0.001 0.001 0.0118
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0029 0.0103
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0023 0.0259
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0031 0.0111
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0031 0.0498
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.001 0.0118
Brugia malayi MH2 domain containing protein 0.0008 0.0006 0.0008
Schistosoma mansoni flap endonuclease-1 0.0023 0.004 0.0451
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0031 0.0107
Echinococcus granulosus dna polymerase eta 0.0019 0.0031 0.0346
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0341 0.0749 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0003 0.0039
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0039 0.014
Entamoeba histolytica hypothetical protein 0.0035 0.0067 0.0892
Echinococcus multilocularis BRK domain 0.0011 0.0014 0.0156
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0031 0.0111
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0003 0.0039
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0029 0.0103
Brugia malayi MH1 domain containing protein 0.0008 0.0006 0.0008
Brugia malayi MH1 domain containing protein 0.0008 0.0006 0.0008
Schistosoma mansoni glutaminase 0.0268 0.0586 0.6639
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0003 0.0039
Trypanosoma brucei hypothetical protein, conserved 0.0006 0.0001 0.0004
Echinococcus multilocularis Helicase SANT associated, DNA binding 0.0006 0.0001 0.0013
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.001 0.0118
Echinococcus granulosus importin 5 0.0005 0 0.0003
Toxoplasma gondii SWI2/SNF2 Brahma-like putative 0.001 0.0011 0.004
Brugia malayi polk-prov protein 0.0006 0.0001 0.0002
Echinococcus granulosus dna polymerase kappa 0.0019 0.0031 0.0346
Trypanosoma brucei unspecified product 0.0013 0.0017 0.0063
Schistosoma mansoni DNA polymerase IV / kappa 0.0006 0.0001 0.0016
Echinococcus multilocularis dnaJ subfamily B 0.0401 0.0883 1
Loa Loa (eye worm) BRM protein 0.0034 0.0064 0.0972
Echinococcus multilocularis translational activator gcn1 0.0005 0 0.0003
Leishmania major DNA polymerase kappa, putative 0.0019 0.0031 0.0111
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.0158
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.001 0.0118
Trichomonas vaginalis glutaminase, putative 0.0268 0.0586 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.014 0.0301 0.1104
Brugia malayi RNA, U transporter 1 0.008 0.0168 0.0231
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0039 0.0669
Plasmodium falciparum Snf2-related CBP activator, putative 0.0006 0.0001 0.0003
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0067 0.0759
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0004 0.0044
Leishmania major DNA polymerase eta, putative 0.0006 0.0001 0.0004
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0102 0.0368
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0023 0.0083
Schistosoma mansoni hypothetical protein 0.0006 0.0001 0.0013
Entamoeba histolytica DNA (cytosine-5)-methyltransferase, putative 0.0019 0.0032 0.0418
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0003 0.0039
Loa Loa (eye worm) SNF2 family domain-containing protein 0.0006 0.0001 0.0017
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0031 0.0111
Trichomonas vaginalis lymphoid specific helicase, putative 0.0012 0.0015 0.0253
Loa Loa (eye worm) hypothetical protein 0.0038 0.0073 0.1097
Brugia malayi Telomerase reverse transcriptase 0.3261 0.7265 1
Schistosoma mansoni hypothetical protein 0.0035 0.0067 0.0759
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.001 0.0009
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0006 0.0069
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0003 0.0039
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1225 0.2723 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.001 0.0118
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0031 0.0461
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0029 0.0334
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0031 0.0111
Leishmania major DNA polymerase eta, putative 0.0019 0.0031 0.0111
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.001 0.0118
Echinococcus granulosus transportin 1 0.0005 0 0.0003
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.001 0.0118
Echinococcus multilocularis FTZ F1 alpha 0.001 0.001 0.0118
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0031 0.0111
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0031 0.0042
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0003 0.0039
Brugia malayi SET domain containing protein 0.0007 0.0003 0.0004
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0031 0.0111
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.001 0.0158
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0031 0.0244
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0031 0.0111
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0029 0.0445
Leishmania major mitochondrial DNA polymerase beta 0.0296 0.0649 0.2382
Trypanosoma brucei unspecified product 0.0019 0.0031 0.0111
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0008 0.0088
Mycobacterium ulcerans glutaminase 0.0268 0.0586 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0023 0.0083
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0004 0.0044
Entamoeba histolytica hypothetical protein 0.0035 0.0067 0.0892
Schistosoma mansoni cpg binding protein 0.0063 0.0128 0.145
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0003 0.0039
Loa Loa (eye worm) helicase DNA-binding protein 0.0011 0.0014 0.0208
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.001 0.0014
Trypanosoma brucei DNA damage repair protein, putative 0.0006 0.0001 0.0004
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0045 0.0684
Schistosoma mansoni hypothetical protein 0.0011 0.0014 0.0156
Echinococcus granulosus disco interacting protein 2 0.0038 0.0073 0.0822
Plasmodium falciparum DNA (cytosine-5)-methyltransferase 0.0019 0.0032 0.0115
Brugia malayi polybromodomain protein 0.0006 0.0002 0.0003
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0031 0.0346
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.001 0.0118
Plasmodium falciparum DNA repair protein REV1, putative 0.0006 0.0001 0.0004
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0017 0.0063
Trichomonas vaginalis helicase, putative 0.0006 0.0003 0.0039
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.0158
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0017 0.0063
Brugia malayi nuclear receptor NHR-88 0.001 0.001 0.0014
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.001 0.0158
Schistosoma mansoni hypothetical protein 0.0166 0.0359 0.4065
Schistosoma mansoni ap endonuclease 0.0018 0.0029 0.0334
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0003 0.0039
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0081 0.0297
Schistosoma mansoni thyroid hormone receptor 0.001 0.001 0.0118
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.001 0.0014
Echinococcus granulosus muscleblind protein 0.0146 0.0315 0.3568
Brugia malayi BRM protein 0.0066 0.0135 0.0186
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0029 0.5
Echinococcus multilocularis muscleblind protein 1 0.0146 0.0315 0.3568
Plasmodium vivax DEAD/DEAH helicase, putative 0.001 0.0011 0.004
Plasmodium vivax importin-beta 2, putative 0.0028 0.0051 0.0188
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0023 0.0259
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.0158
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0122 0.1377
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0023 0.0083
Plasmodium vivax flap endonuclease 1, putative 0.0026 0.0045 0.0165
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0038 0.0073 0.0822
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0051 0.0188
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0249 0.377
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0081 0.0293
Echinococcus granulosus polybromo 1 0.0006 0.0002 0.0022
Echinococcus granulosus importin subunit beta 1 0.0028 0.0051 0.0582
Echinococcus granulosus Smad4 0.0008 0.0006 0.0069
Toxoplasma gondii DNA methyltransferase 2, putative 0.0019 0.0032 0.0115
Echinococcus multilocularis DNA methyltransferase 2, putative 0.0019 0.0032 0.0357
Echinococcus multilocularis BRK domain containing protein 0.0011 0.0014 0.0156
Echinococcus multilocularis chromodomain helicase DNA binding protein 7 0.0011 0.0014 0.0156
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.001 0.0158
Schistosoma mansoni helicase 0.0006 0.0001 0.0013
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0023 0.0259
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.0158
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.014 0.0301 0.1104
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0039 0.0669
Trypanosoma brucei DNA polymerase kappa, putative 0.0006 0.0001 0.0004
Schistosoma mansoni hypothetical protein 0.0013 0.0017 0.0196
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0029 0.0041
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.001 0.0118
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0031 0.0107
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0031 0.0111
Schistosoma mansoni helicase 0.0066 0.0135 0.1531
Mycobacterium ulcerans hypothetical protein 0.0156 0.0336 0.5726
Giardia lamblia DNA repair protein RAD52 0.0341 0.0749 0.2746
Toxoplasma gondii hypothetical protein 0.0048 0.0095 0.0347
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0045 0.0161
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0031 0.0111
Schistosoma mansoni cpg binding protein 0.0063 0.0128 0.145
Trypanosoma brucei cytosine-specific DNA methylase, putative 0.0019 0.0032 0.0115
Plasmodium vivax telomerase reverse transcriptase, putative 0.1225 0.2723 1
Echinococcus multilocularis BRK domain containing protein 0.0011 0.0014 0.0156
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0029 0.0498
Echinococcus multilocularis BRK domain containing protein 0.0011 0.0014 0.0156
Echinococcus granulosus smad 0.0008 0.0006 0.0069
Plasmodium falciparum DEAD/DEAH box helicase, putative 0.001 0.0011 0.004
Entamoeba histolytica hypothetical protein 0.0023 0.0039 0.0524
Loa Loa (eye worm) CXXC zinc finger family protein 0.0061 0.0124 0.1881
Plasmodium vivax helicase, putative 0.0006 0.0001 0.0003
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0031 0.0405
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.001 0.0118
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0296 0.0649 0.2382
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0004 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.001 0.0014
Echinococcus multilocularis cpg binding protein 0.0063 0.0128 0.145
Echinococcus multilocularis Chromo domain 0.0011 0.0014 0.0156
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0029 0.0107
Schistosoma mansoni hypothetical protein 0.0401 0.0883 1
Brugia malayi steroid hormone receptor 0.001 0.001 0.0014
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0031 0.0346
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0006 0.0092
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0029 0.021
Loa Loa (eye worm) hypothetical protein 0.0006 0.0001 0.0022
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.001 0.0014
Brugia malayi Flap endonuclease-1 0.0026 0.0045 0.0062
Echinococcus multilocularis importin 5 0.0005 0 0.0003
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0031 0.0111
Leishmania major telomerase reverse transcriptase, putative 0.1225 0.2723 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0031 0.0461
Echinococcus granulosus FTZ F1 alpha 0.001 0.001 0.0118
Schistosoma mansoni smad1 5 8 and 0.0008 0.0006 0.0069
Schistosoma mansoni coup transcription factor 0.001 0.001 0.0118
Plasmodium vivax hypothetical protein, conserved 0.0006 0.0001 0.0003
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0067 0.0759
Brugia malayi Disco-interacting protein 2 homolog 0.0038 0.0073 0.01
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.001 0.0118
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0083 0.0173 0.0636
Plasmodium vivax DNA (cytosine-5)-methyltransferase, putative 0.0019 0.0032 0.0115
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0006 0.0001 0.0004
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0031 0.0244
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.001 0.0158
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.0158
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0003 0.0039
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0111 0.0408
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.001 0.0118
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0023 0.0259
Schistosoma mansoni hypothetical protein 0.0302 0.0662 0.7493
Schistosoma mansoni ap endonuclease 0.0018 0.0029 0.0334
Echinococcus multilocularis BRK domain containing protein 0.0011 0.0014 0.0156
Echinococcus granulosus global transcription activator snf2l2 0.0066 0.0135 0.1531
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0006 0.0069
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.001 0.0009
Toxoplasma gondii RNA-directed DNA polymerase 0.1225 0.2723 1
Leishmania major DNA polymerase kappa, putative 0.0006 0.0001 0.0004
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0006 0.0069
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.0045 0.0165
Echinococcus multilocularis polybromo 1 0.0006 0.0002 0.0022
Onchocerca volvulus 0.0038 0.0073 0.0071
Schistosoma mansoni hypothetical protein 0.0166 0.0359 0.4065
Giardia lamblia DINP protein human, muc B family 0.0019 0.0031 0.0107
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0017 0.0063
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0004 0.0044
Schistosoma mansoni smad1 5 8 and 0.0008 0.0006 0.0069
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0051 0.0188
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0031 0.0042
Loa Loa (eye worm) hypothetical protein 0.0028 0.0051 0.0777
Echinococcus granulosus dnaJ subfamily B 0.0401 0.0883 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0023 0.0346
Brugia malayi hypothetical protein 0.0035 0.0067 0.0092
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0296 0.0649 0.2379
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.001 0.0118
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0029 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.001 0.0158
Toxoplasma gondii hypothetical protein 0.0083 0.0173 0.0636
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0003 0.0039
Plasmodium falciparum flap endonuclease 1 0.0026 0.0045 0.0165
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0031 0.0107
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.001 0.0118
Brugia malayi SNF2 family N-terminal domain containing protein 0.0006 0.0001 0.0002
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.001 0.0118
Echinococcus multilocularis disco interacting protein 2 0.0038 0.0073 0.0822
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0023 0.0083
Echinococcus multilocularis BRK domain containing protein 0.0011 0.0014 0.0156
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0081 0.0293
Echinococcus granulosus BRK domain containing protein 0.0011 0.0014 0.0156
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0026 0.0045 0.0165
Schistosoma mansoni polybromo-1 0.0006 0.0002 0.0022
Echinococcus multilocularis Smad4 0.0008 0.0006 0.0069
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0029 0.0107
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.001 0.0014
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.001 0.0118
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0031 0.0111
Echinococcus multilocularis snurportin 1 0.0302 0.0662 0.7493
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0031 0.0111
Brugia malayi CXXC zinc finger family protein 0.0061 0.0124 0.0171
Loa Loa (eye worm) hypothetical protein 0.0006 0.0002 0.0025
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0023 0.0259
Leishmania major importin beta-1 subunit, putative 0.0023 0.0039 0.0144
Onchocerca volvulus Bile acid receptor homolog 0.001 0.001 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.001 0.0014
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0031 0.0107
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0067 0.0759
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0097 0.0205 0.2731
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.001 0.0158
Echinococcus multilocularis dna polymerase eta 0.0019 0.0031 0.0346
Schistosoma mansoni importin beta-1 0.0028 0.0051 0.0582
Schistosoma mansoni cpg binding protein 0.0061 0.0124 0.1409
Trypanosoma brucei DNA damage repair protein, putative 0.0006 0.0001 0.0004
Brugia malayi Associated with TFs and helicases family protein 0.0011 0.0014 0.0019
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0023 0.0083
Trichomonas vaginalis flap endonuclease-1, putative 0.0026 0.0045 0.0768
Loa Loa (eye worm) hypothetical protein 0.0146 0.0315 0.4762
Echinococcus multilocularis muscleblind protein 0.0146 0.0315 0.3568
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.001 0.0118
Plasmodium falciparum telomerase reverse transcriptase 0.1225 0.2723 1
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.0158

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 45 % Binding activity against Adenosine A2A receptor using [3H]-CGS- 21680 ChEMBL. 7731018
Inhibition (binding) = 45 % Binding activity against Adenosine A2A receptor using [3H]-CGS- 21680 ChEMBL. 7731018
Ki (binding) = 0.2 uM Binding activity against Adenosine A1 receptor using [3H]-CHA as a radioligand. ChEMBL. 7731018
Ki (binding) = 0.2 uM Binding activity against Adenosine A1 receptor using [3H]-CHA as a radioligand. ChEMBL. 7731018

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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