Detailed information for compound 1101969

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 381.432 | Formula: C19H23N7O2
  • H donors: 3 H acceptors: 5 LogP: 2.21 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(nc(n1)Nc1ccc(cc1)C)CN1C(=O)NC2(C1=O)CCCCC2
  • InChi: 1S/C19H23N7O2/c1-12-5-7-13(8-6-12)21-17-23-14(22-16(20)24-17)11-26-15(27)19(25-18(26)28)9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3,(H,25,28)(H3,20,21,22,23,24)
  • InChiKey: LYSQKWDUPSIMCD-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Brugia malayi follicle stimulating hormone receptor adenosine A2a receptor 412 aa 336 aa 22.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi Serine/threonine protein phosphatase PP1-gamma catalytic subunit 0.0019 0.0013 0.0036
Mycobacterium ulcerans leucyl-tRNA synthetase 0.0032 0.009 0.1709
Mycobacterium leprae conserved hypothetical protein 0.0073 0.0351 1
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0063 0.0291
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.0144 0.0123
Schistosoma mansoni aspartyl-tRNA synthetase 0.0026 0.0052 0.0065
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.01 0.0311
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0027 0.0063 0.016
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.0513 0.3443
Mycobacterium ulcerans aspartyl-tRNA synthetase 0.0026 0.0052 0.0498
Trypanosoma cruzi aspartyl-tRNA synthetase, putative 0.0026 0.0052 0.0272
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Schistosoma mansoni hypothetical protein 0.0026 0.0052 0.0065
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.0144 0.0899
Treponema pallidum leucyl-tRNA synthetase 0.0032 0.009 0.0484
Onchocerca volvulus 0.0052 0.0216 0.0029
Trypanosoma cruzi aspartyl-tRNA synthetase, putative 0.0026 0.0052 0.0272
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.0144 0.2497
Chlamydia trachomatis aspartate--tRNA(Asp/Asn) ligase 0.0026 0.0052 0.0141
Brugia malayi replication factor A 73 kDa subunit 0.052 0.3174 1
Mycobacterium tuberculosis Conserved protein 0.0073 0.0351 0.1124
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0099 0.0513 0.1581
Mycobacterium tuberculosis Conserved protein 0.0073 0.0351 0.1124
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0037 0.0164
Leishmania major phosphatidylinositol 3-kinase, putative 0.0021 0.0021 0.0053
Mycobacterium ulcerans hypothetical protein 0.0073 0.0351 1
Brugia malayi beta-lactamase family protein 0.0073 0.0351 0.1101
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0021 0.0021 0.0053
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0069 0.0178
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0073 0.0351 0.1124
Leishmania major hypothetical protein, conserved 0.0027 0.0063 0.0342
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0037 0.0127 0.0106
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0021 0.0021 0.0053
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0037 0.0127 0.0132
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.028 0.1659 0.5226
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.0351 0.107
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0021 0.0021 0.0053
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.028 0.1659 0.2036
Echinococcus granulosus cpg binding protein 0.0128 0.0697 0.0841
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0024 0.0044 0.0216
Giardia lamblia Lysyl-tRNA synthetase 0.0026 0.0052 0.0645
Trypanosoma brucei polo-like protein kinase 0.0099 0.0513 0.3443
Trypanosoma cruzi Replication factor A protein 1 0.0249 0.1464 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0027 0.0063 0.016
Brugia malayi lysyl-tRNA synthetase 0.0026 0.0052 0.016
Echinococcus multilocularis protein phosphatase 1 catalytic subunit 0.0031 0.0088 0.0067
Loa Loa (eye worm) hypothetical protein 0.0031 0.0088 0.0236
Trichomonas vaginalis helicase, putative 0.0027 0.0063 0.016
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.028 0.1659 0.1642
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0351 0.233
Plasmodium falciparum methionine--tRNA ligase 0.0032 0.009 0.0376
Loa Loa (eye worm) hypothetical protein 0.0073 0.0351 0.107
Schistosoma mansoni hypothetical protein 0.0033 0.01 0.0124
Trypanosoma cruzi aspartyl-tRNA synthetase, putative 0.0026 0.0052 0.0272
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Leishmania major replication Factor A 28 kDa subunit, putative 0.0026 0.0052 0.0272
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0021 0.0021 0.0026
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0138 0.0761 0.0943
Schistosoma mansoni aspartyl-tRNA synthetase 0.0026 0.0052 0.0065
Trypanosoma brucei aspartyl-tRNA synthetase, putative 0.0026 0.0052 0.0272
Loa Loa (eye worm) hypothetical protein 0.0033 0.01 0.0276
Entamoeba histolytica hypothetical protein 0.0023 0.0037 0.0185
Brugia malayi Asparaginyl-tRNA synthetase, cytoplasmic 0.0026 0.0052 0.016
Schistosoma mansoni methionine-tRNA synthetase 0.0032 0.009 0.0112
Schistosoma mansoni aspartyl-tRNA synthetase 0.0026 0.0052 0.0065
Echinococcus multilocularis leucyl tRNA synthetase 0.0032 0.009 0.007
Brugia malayi protein ZK524.3 0.0032 0.009 0.028
Plasmodium falciparum nucleic acid binding protein, putative 0.0026 0.0052 0.011
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0513 0.1581
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.028 0.1659 0.5209
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0028 0.0069 0.0213
Toxoplasma gondii exonuclease III APE 0.004 0.0144 0.0851
Leishmania major lysyl-tRNA synthetase, putative 0.0026 0.0052 0.0272
Echinococcus multilocularis SAM and MBT domain containing protein 0.0052 0.0216 0.0196
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0063 0.016
Brugia malayi methionyl-tRNA synthetase 0.0032 0.009 0.028
Echinococcus granulosus asparaginyl tRNA synthetase, cytoplasmic 0.0026 0.0052 0.0039
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0138 0.0761 0.0741
Treponema pallidum aspartyl-tRNA synthetase 0.0026 0.0052 0.0141
Schistosoma mansoni kinase 0.005 0.0207 0.0256
Echinococcus multilocularis methionine tRNA synthetase 0.0032 0.009 0.007
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0212 0.1225 0.1497
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.0021 0.0055
Plasmodium vivax methionine--tRNA ligase, putative 0.0032 0.009 0.0376
Mycobacterium tuberculosis Probable DNA polymerase III (alpha chain) DnaE1 (DNA nucleotidyltransferase) 0.0026 0.0052 0.0056
Echinococcus granulosus histone acetyltransferase MYST2 0.0059 0.0261 0.0299
Loa Loa (eye worm) hypothetical protein 0.0049 0.0197 0.0583
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.0144 0.3396
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0138 0.0761 0.0919
Echinococcus granulosus glycyl tRNA synthetase 0.0155 0.0866 0.105
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0466 0.2833 1
Schistosoma mansoni replication factor A 1 rfa1 0.052 0.3174 0.3934
Chlamydia trachomatis leucine--tRNA ligase 0.0032 0.009 0.0484
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.003 0.008 0.0074
Schistosoma mansoni aspartyl-tRNA synthetase 0.0026 0.0052 0.0065
Plasmodium vivax hypothetical protein, conserved 0.0032 0.009 0.0376
Echinococcus multilocularis replication protein A 70 kDa DNA binding 0.052 0.3174 0.316
Echinococcus granulosus serine protein kinase ATM 0.0028 0.0069 0.006
Loa Loa (eye worm) hypothetical protein 0.0073 0.0351 0.107
Giardia lamblia Kinase, PLK 0.0099 0.0513 1
Onchocerca volvulus 0.0121 0.0654 0.1699
Chlamydia trachomatis methionine--tRNA ligase 0.0199 0.1146 1
Schistosoma mansoni hypothetical protein 0.0138 0.0761 0.0943
Treponema pallidum asparaginyl-tRNA synthetase 0.0026 0.0052 0.0141
Entamoeba histolytica asparaginyl-tRNA synthetase, putative 0.0026 0.0052 0.0306
Plasmodium vivax hypothetical protein, conserved 0.0073 0.0351 0.2202
Entamoeba histolytica replication factor A, putative 0.005 0.0209 0.1519
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.028 0.1659 0.1642
Echinococcus granulosus protein phosphatase 1, catalytic subunit, beta isozyme 0.0031 0.0088 0.0083
Echinococcus multilocularis asparaginyl tRNA synthetase, cytoplasmic 0.0026 0.0052 0.0032
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0073 0.0351 0.1124
Mycobacterium tuberculosis Probable esterase LipL 0.0073 0.0351 0.1124
Toxoplasma gondii methionyl-tRNA synthetase 0.0032 0.009 0.0483
Brugia malayi hypothetical protein 0.0027 0.0063 0.0192
Leishmania major replication factor A, 51kDa subunit, putative 0.0249 0.1464 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Loa Loa (eye worm) replication factor A 73 kDa subunit 0.052 0.3174 1
Giardia lamblia Hypothetical protein 0.0076 0.0371 0.7115
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0144 0.0748
Brugia malayi mbt repeat family protein 0.0052 0.0216 0.0677
Schistosoma mansoni aspartyl-tRNA synthetase 0.0026 0.0052 0.0065
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.028 0.1659 0.2036
Trypanosoma brucei aspartyl-tRNA synthetase, putative 0.0026 0.0052 0.0272
Echinococcus multilocularis lysyl tRNA synthetase 0.0026 0.0052 0.0032
Chlamydia trachomatis lysine--tRNA ligase 0.0026 0.0052 0.0141
Trypanosoma cruzi asparaginyl-tRNA synthetase, putative 0.0026 0.0052 0.0272
Schistosoma mansoni hypothetical protein 0.0138 0.0761 0.0943
Brugia malayi glycyl-tRNA synthetase 0.0155 0.0866 0.2724
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.028 0.1659 0.2057
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0099 0.0513 0.0493
Schistosoma mansoni protein phosphatase type 1 0.0031 0.0088 0.0109
Loa Loa (eye worm) MBCTL1 0.0059 0.0261 0.0786
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0028 0.0069 0.0388
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0513 0.1581
Plasmodium vivax methionine--tRNA ligase, putative 0.0032 0.009 0.0376
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0197 0.0617
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0513 0.1581
Giardia lamblia Asparaginyl-tRNA synthetase 0.0026 0.0052 0.0645
Plasmodium vivax lysine--tRNA ligase, putative 0.0026 0.0052 0.011
Trichomonas vaginalis bsu-protein phosphatase, putative 0.0031 0.0088 0.0236
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0249 0.1464 0.4592
Schistosoma mansoni hypothetical protein 0.0177 0.1007 0.1247
Entamoeba histolytica hypothetical protein 0.0028 0.0069 0.0437
Schistosoma mansoni ap endonuclease 0.004 0.0144 0.0178
Brugia malayi putative serine/threonine phosphatase 0.0019 0.0013 0.0036
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0021 0.0021 0.0053
Onchocerca volvulus 0.0073 0.0351 0.0543
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0026 0.0052 0.0272
Trypanosoma cruzi serine/threonine protein phosphatase catalytic subunit, putative 0.0031 0.0088 0.0514
Echinococcus granulosus serine:threonine protein phosphatase PP1 beta 0.0031 0.0088 0.0083
Trypanosoma cruzi aspartyl-tRNA synthetase, putative 0.0026 0.0052 0.0272
Trypanosoma brucei Replication factor A protein 1 0.0249 0.1464 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Schistosoma mansoni protein phosphatase type 1 0.0019 0.0013 0.0016
Loa Loa (eye worm) hypothetical protein 0.0059 0.0261 0.0786
Schistosoma mansoni hypothetical protein 0.0177 0.1007 0.1247
Schistosoma mansoni ap endonuclease 0.004 0.0144 0.0178
Loa Loa (eye worm) aspartyl-tRNA synthetase 0.0026 0.0052 0.0125
Schistosoma mansoni hypothetical protein 0.0138 0.0761 0.0943
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0144 0.0413
Echinococcus granulosus beta LACTamase domain containing family member 0.0073 0.0351 0.0411
Loa Loa (eye worm) glycyl-tRNA synthetase 0.0155 0.0866 0.2698
Schistosoma mansoni cpg binding protein 0.0128 0.0697 0.0864
Echinococcus granulosus aspartyl tRNA synthetase cytoplasmic 0.0026 0.0052 0.0039
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0144 0.0413
Echinococcus multilocularis serine:threonine protein phosphatase PP1 isozyme 0.0031 0.0088 0.0067
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0032 0.009 0.1709
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.0144 1
Loa Loa (eye worm) beta-lactamase 0.0073 0.0351 0.107
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.052 0.3174 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0052 0.0216 0.0243
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0073 0.0351 0.1101
Plasmodium falciparum serine/threonine protein phosphatase PP1 0.0031 0.0088 0.0356
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0513 0.1581
Brugia malayi Serine/threonine protein phosphatase PP1 isozyme 1, putative 0.0019 0.0013 0.0036
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.0144 0.0899
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0351 0.107
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0037 0.0111
Onchocerca volvulus Putative replication factor A 73 kDa subunit 0.0466 0.2829 1
Loa Loa (eye worm) 63kd antigen 0.0026 0.0052 0.0125
Trypanosoma brucei hypothetical protein, conserved 0.0073 0.0351 0.233
Schistosoma mansoni aspartyl-tRNA synthetase 0.0026 0.0052 0.0065
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0027 0.0063 0.016
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.0351 0.0435
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0021 0.0021 0.0053
Loa Loa (eye worm) phosphatidylinositol 3 0.0021 0.0021 0.0024
Echinococcus multilocularis serine:threonine protein phosphatase PP1 gamma 0.0031 0.0088 0.0067
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.052 0.3174 1
Schistosoma mansoni protein phosphatase-1 0.0019 0.0013 0.0016
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0021 0.0021 0.006
Loa Loa (eye worm) hypothetical protein 0.0138 0.0761 0.2366
Brugia malayi CXXC zinc finger family protein 0.0121 0.0654 0.2056
Schistosoma mansoni cpg binding protein 0.0121 0.0654 0.081
Plasmodium falciparum lysine--tRNA ligase 0.0026 0.0052 0.011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Echinococcus granulosus dnaJ subfamily B 0.1296 0.8068 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0099 0.0513 0.0611
Trypanosoma brucei asparaginyl-tRNA synthetase, putative 0.0026 0.0052 0.0272
Entamoeba histolytica hypothetical protein 0.0026 0.0052 0.0306
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0513 0.1581
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0351 0.107
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0216 0.0268
Onchocerca volvulus 0.0073 0.0351 0.0543
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0028 0.0069 0.0388
Leishmania major lysyl-tRNA synthetase, putative 0.0026 0.0052 0.0272
Loa Loa (eye worm) hypothetical protein 0.0027 0.0063 0.0157
Schistosoma mansoni protein phosphatase-1 0.0031 0.0088 0.0109
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0774 0.4772 0.4761
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Loa Loa (eye worm) histone methyltransferase 0.0037 0.0127 0.036
Mycobacterium ulcerans lipase LipD 0.0073 0.0351 1
Toxoplasma gondii replication factor-a protein 1 (rpa1) subfamily protein 0.0249 0.1464 1
Echinococcus multilocularis asparaginyl tRNA synthetase, cytoplasmic 0.0026 0.0052 0.0032
Schistosoma mansoni mixed-lineage leukemia protein mll 0.003 0.008 0.0099
Leishmania major aspartyl-tRNA synthetase, putative 0.0026 0.0052 0.0272
Plasmodium vivax serine/threonine protein phosphatase PP1, putative 0.0031 0.0088 0.0356
Plasmodium falciparum methionine--tRNA ligase, putative 0.0032 0.009 0.0376
Wolbachia endosymbiont of Brugia malayi leucyl-tRNA synthetase 0.0032 0.009 0.5032
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.028 0.1659 0.2057
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0495 0.3012 0.9488
Loa Loa (eye worm) BRCA2 repeat family protein 0.0105 0.0554 0.171
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0027 0.0063 0.016
Plasmodium vivax replication protein A1, large subunit, putative 0.0249 0.1464 1
Schistosoma mansoni glycyl-tRNA synthetase 0.0155 0.0866 0.1073
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0216 0.0268
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0021 0.0021 0.0053
Brugia malayi serine/threonine-protein kinase plk-2 0.0099 0.0513 0.1611
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0021 0.0021 0.0053
Plasmodium falciparum asparagine--tRNA ligase 0.0026 0.0052 0.011
Echinococcus granulosus lysyl tRNA synthetase 0.0026 0.0052 0.0039
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.0032 0.009 0.0192
Wolbachia endosymbiont of Brugia malayi aspartyl-tRNA synthetase 0.0026 0.0052 0.1467
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0063 0.016
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0021 0.0021 0.0053
Schistosoma mansoni aspartyl-tRNA synthetase 0.0026 0.0052 0.0065
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Loa Loa (eye worm) hypothetical protein 0.0199 0.1146 0.3585
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0063 0.016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Loa Loa (eye worm) hypothetical protein 0.0026 0.0052 0.0125
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0021 0.0021 0.0053
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0073 0.0351 0.1124
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.0144 0.0899
Onchocerca volvulus 0.0082 0.0411 0.077
Loa Loa (eye worm) hypothetical protein 0.0073 0.0351 0.107
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.0144 0.0962
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0021 0.0021 0.006
Loa Loa (eye worm) multisynthetase complex auxiliary component p43 0.0167 0.0946 0.2953
Loa Loa (eye worm) apoptosis regulator protein 0.0138 0.0761 0.2366
Toxoplasma gondii tRNA ligases class I (M) protein 0.0032 0.009 0.0483
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0063 0.0342
Plasmodium falciparum replication protein A1, large subunit 0.0249 0.1464 1
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0513 0.1581
Schistosoma mansoni myelin transcription factor 1 myt1 0.0059 0.0261 0.0324
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0026 0.0052 0.0272
Loa Loa (eye worm) hypothetical protein 0.0073 0.0351 0.107
Brugia malayi Aspartyl-tRNA synthetase 0.0026 0.0052 0.016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Mycobacterium ulcerans beta-lactamase 0.0073 0.0351 1
Brugia malayi Serine/threonine protein phosphatase PP1-alpha catalytic subunit 0.0019 0.0013 0.0036
Leishmania major methionyl-tRNA synthetase, putative 0.0032 0.009 0.0534
Echinococcus granulosus protein phosphatase 1 catalytic subunit 0.0031 0.0088 0.0083
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0063 0.016
Onchocerca volvulus Serine\/threonine kinase homolog 0.0099 0.0513 0.116
Toxoplasma gondii serine/threonine phosophatase PP1 0.0031 0.0088 0.0464
Schistosoma mansoni protein phosphatase-1 0.0031 0.0088 0.0109
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0063 0.016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Brugia malayi mbt repeat family protein 0.0052 0.0216 0.0677
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.0144 0.0447
Schistosoma mansoni serine/threonine protein kinase 0.0099 0.0513 0.0635
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0063 0.0342
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0026 0.0052 0.0272
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0099 0.0513 0.3443
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.0411 0.0484
Brugia malayi beta-lactamase family protein 0.0073 0.0351 0.1101
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.0351 0.107
Leishmania major aspartyl-tRNA synthetase, putative 0.0026 0.0052 0.0272
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.0513 0.3443
Plasmodium falciparum aspartate--tRNA ligase 0.0026 0.0052 0.011
Trypanosoma cruzi hypothetical protein, conserved 0.0026 0.0052 0.0272
Plasmodium vivax asparagine--tRNA ligase, putative 0.0026 0.0052 0.011
Echinococcus granulosus geminin 0.0177 0.1007 0.1225
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0155 0.0866 0.2698
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0063 0.016
Echinococcus multilocularis mixed lineage leukemia protein mll 0.003 0.008 0.006
Leishmania major hypothetical protein, conserved 0.0073 0.0351 0.233
Brugia malayi Serine/threonine protein phosphatase PP1-beta catalytic subunit 0.0031 0.0088 0.0271
Brugia malayi Serine/threonine protein phosphatase F56C9.1 in chromosomeIII 0.0031 0.0088 0.0271
Toxoplasma gondii histone lysine methyltransferase SET1 0.0229 0.1337 0.9116
Trichomonas vaginalis serine/threonine protein phosphatase, putative 0.0031 0.0088 0.0236
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0063 0.0342
Schistosoma mansoni hypothetical protein 0.0322 0.1922 0.2382
Trypanosoma cruzi aspartyl-tRNA synthetase, putative 0.0026 0.0052 0.0272
Schistosoma mansoni leucyl-tRNA synthetase 0.0032 0.009 0.0112
Loa Loa (eye worm) hypothetical protein 0.0032 0.009 0.0245
Schistosoma mansoni methionine-tRNA synthetase 0.0199 0.1146 0.1421
Brugia malayi BRCA2 repeat family protein 0.0105 0.0554 0.174
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0063 0.016
Brugia malayi beta-lactamase 0.0073 0.0351 0.1101
Trichomonas vaginalis aspartyl/lysyl-tRNA synthetase, putative 0.0026 0.0052 0.0125
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0026 0.0052 0.0272
Brugia malayi methionyl-tRNA synthetase 0.0199 0.1146 0.3608
Echinococcus multilocularis histone acetyltransferase MYST2 0.0059 0.0261 0.0241
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0351 0.107
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0027 0.0063 0.016
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0052 0.0216 0.0029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Echinococcus multilocularis aspartyl tRNA synthetase, cytoplasmic 0.0026 0.0052 0.0032
Brugia malayi F/Y-rich N-terminus family protein 0.0037 0.0124 0.0385
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0021 0.0021 0.006
Schistosoma mansoni lysyl-tRNA synthetase 0.0026 0.0052 0.0065
Toxoplasma gondii aspartate-tRNA ligase 0.0026 0.0052 0.022
Trichomonas vaginalis protein phosphatase, caeel, putative 0.0031 0.0088 0.0236
Mycobacterium ulcerans esterase/lipase LipP 0.0073 0.0351 1
Giardia lamblia Aspartyl-tRNA synthetase 0.0026 0.0052 0.0645
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0021 0.0021 0.0053
Schistosoma mansoni apoptosis regulator bax 0.0138 0.0761 0.0943
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0032 0.009 0.0245
Entamoeba histolytica hypothetical protein 0.0026 0.0052 0.0306
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0155 0.0866 0.2724
Onchocerca volvulus 0.0073 0.0351 0.0543
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Echinococcus multilocularis asparaginyl tRNA synthetase 0.0026 0.0052 0.0032
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0144 0.0748
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0138 0.0761 0.2393
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.028 0.1659 0.2057
Toxoplasma gondii ABC1 family protein 0.0073 0.0351 0.2289
Mycobacterium tuberculosis Conserved protein 0.0073 0.0351 0.1124
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0026 0.0052 0.0498
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0257 0.151 0.1871
Echinococcus multilocularis serine protein kinase ATM 0.0028 0.0069 0.0049
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.0351 0.0435
Echinococcus multilocularis serine:threonine protein phosphatase PP1 gamma 0.0031 0.0088 0.0067
Echinococcus granulosus serine:threonine protein phosphatase PP1 gamma 0.0031 0.0088 0.0083
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0351 0.233
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0026 0.0052 0.0125
Trypanosoma cruzi replication Factor A 28 kDa subunit, putative 0.0026 0.0052 0.0272
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.0411 0.0391
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.0144 0.0413
Echinococcus granulosus asparaginyl tRNA synthetase cytoplasmic 0.0026 0.0052 0.0039
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0021 0.0021 0.0026
Giardia lamblia Methionyl-tRNA synthetase 0.0032 0.009 0.1419
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0197 0.0617
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Loa Loa (eye worm) CXXC zinc finger family protein 0.0121 0.0654 0.2028
Treponema pallidum methionyl-tRNA synthetase 0.0199 0.1146 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.0144 0.0153
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0032 0.009 0.0534
Echinococcus multilocularis serine:threonine protein phosphatase PP1 beta 0.0031 0.0088 0.0067
Schistosoma mansoni protein phosphatase type 1 0.0031 0.0088 0.0109
Loa Loa (eye worm) hypothetical protein 0.0024 0.0044 0.0099
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0059 0.0261 0.0241
Loa Loa (eye worm) hypothetical protein 0.005 0.0209 0.062
Trypanosoma brucei protein phosphatase 1, putative 0.0031 0.0088 0.0514
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0027 0.0063 0.016
Echinococcus granulosus methionine tRNA synthetase 0.0032 0.009 0.0087
Toxoplasma gondii hypothetical protein 0.0055 0.0235 0.1487
Entamoeba histolytica aspartyl-tRNA synthetase, putative 0.0026 0.0052 0.0306
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0021 0.0021 0.0053
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0063 0.0181
Leishmania major leucyl-tRNA synthetase, putative 0.0032 0.009 0.0534
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.003 0.008 0.006
Echinococcus granulosus mixed lineage leukemia protein mll 0.003 0.008 0.0074
Echinococcus granulosus replication protein A 70 kDa DNA binding 0.052 0.3174 0.3918
Mycobacterium leprae Probable lipase LipE 0.0073 0.0351 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.0144 0.0899
Mycobacterium tuberculosis Probable lipase LipD 0.0073 0.0351 0.1124
Mycobacterium tuberculosis Probable hydrolase 0.0073 0.0351 0.1124
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0073 0.0351 0.107
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0063 0.016
Mycobacterium tuberculosis Probable lipase LipE 0.0073 0.0351 0.1124
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0059 0.0261 0.0819
Plasmodium falciparum asparagine--tRNA ligase 0.0026 0.0052 0.011
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0026 0.0052 0.0498
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0037 0.0164
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Entamoeba histolytica serine/threonine protein kinase, putative 0.0099 0.0513 0.3875
Mycobacterium leprae PROBABLE DNA POLYMERASE III (ALPHA CHAIN) DNAE1 (DNA NUCLEOTIDYLTRANSFERASE) 0.0026 0.0052 0.0498
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0021 0.0021 0.0053
Trichomonas vaginalis bsu-protein phosphatase, putative 0.0031 0.0088 0.0236
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0027 0.0063 0.016
Entamoeba histolytica replication factor A protein 1, putative 0.0224 0.1302 1
Giardia lamblia Ser/Thr protein phosphatase PP1-alpha 2 catalytic subunit 0.0031 0.0088 0.1361
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0197 0.0583
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0027 0.0063 0.016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0021 0.0021 0.006
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0513 0.1581
Trypanosoma cruzi target of rapamycin kinase 3 0.0021 0.0021 0.0053
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Echinococcus granulosus serine:threonine protein phosphatase PP1 gamma 0.0031 0.0088 0.0083
Echinococcus multilocularis cpg binding protein 0.0128 0.0697 0.0678
Echinococcus multilocularis dnaJ subfamily B 0.1296 0.8068 0.8064
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0063 0.0181
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0032 0.009 0.0534
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0026 0.0052 0.0272
Loa Loa (eye worm) hypothetical protein 0.0082 0.0411 0.1258
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0059 0.0261 0.0299
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0037 0.0111
Toxoplasma gondii FATC domain-containing protein 0.0028 0.0069 0.0337
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0032 0.009 0.0245
Echinococcus multilocularis geminin 0.0177 0.1007 0.0988
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Loa Loa (eye worm) hypothetical protein 0.0032 0.009 0.0245
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0021 0.0021 0.0053
Toxoplasma gondii OB-fold nucleic acid binding domain-containing protein 0.0131 0.0716 0.4813
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0073 0.0351 1
Toxoplasma gondii lysine-tRNA ligase 0.0026 0.0052 0.022
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0052 0.0216 0.0268
Schistosoma mansoni hypothetical protein 0.1296 0.8068 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0073 0.0351 0.0331
Echinococcus multilocularis glycyl tRNA synthetase 0.0155 0.0866 0.0847
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0032 0.009 0.5032
Leishmania major phosphatidylinositol kinase related protein, putative 0.0021 0.0021 0.0055
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0026 0.0052 0.011
Leishmania major serine/threonine protein phosphatase catalytic subunit, putative 0.0031 0.0088 0.0514
Mycobacterium tuberculosis Probable DNA polymerase III (alpha chain) DnaE2 (DNA nucleotidyltransferase) 0.0026 0.0052 0.0056
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0774 0.4772 0.5904
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0026 0.0052 0.0498
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0199 0.1146 0.8789
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0199 0.1146 0.1128
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.0198 0.0587
Loa Loa (eye worm) hypothetical protein 0.0073 0.0351 0.107
Schistosoma mansoni cpg binding protein 0.0128 0.0697 0.0864
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0032 0.009 0.1709
Plasmodium vivax aspartate--tRNA ligase, putative 0.0026 0.0052 0.011
Plasmodium vivax asparagine--tRNA ligase, putative 0.0026 0.0052 0.011
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.0198 0.0587
Schistosoma mansoni aspartyl-tRNA synthetase 0.0026 0.0052 0.0065
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.0411 0.0509
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0063 0.016
Echinococcus multilocularis polycomb protein SCMH1 0.0052 0.0216 0.0196
Trichomonas vaginalis esterase, putative 0.0073 0.0351 0.107
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.0144 0.0382
Schistosoma mansoni lysyl-tRNA synthetase 0.0026 0.0052 0.0065
Loa Loa (eye worm) mbt repeat family protein 0.0052 0.0216 0.0643
Loa Loa (eye worm) hypothetical protein 0.0073 0.0351 0.107
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0028 0.0069 0.0086
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0063 0.0181
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Leishmania major asparaginyl-tRNA synthetase, putative 0.0026 0.0052 0.0272
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.0144 0.1012
Loa Loa (eye worm) phosphatidylinositol 3 0.0021 0.0021 0.0024
Loa Loa (eye worm) hypothetical protein 0.0052 0.0216 0.0643
Brugia malayi Serine/threonine protein phosphatase PP1 isozyme 1, putative 0.0019 0.0013 0.0036
Giardia lamblia Leucyl-tRNA synthetase 0.0032 0.009 0.1419
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0021 0.0024
Schistosoma mansoni aspartyl-tRNA synthetase 0.0026 0.0052 0.0065
Echinococcus granulosus polycomb protein SCMH1 0.0052 0.0216 0.0243
Trichomonas vaginalis bsu-protein phosphatase, putative 0.0031 0.0088 0.0236
Trichomonas vaginalis protein phosphatase-1, putative 0.0031 0.0088 0.0236
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0212 0.1225 0.1207
Schistosoma mansoni protein phosphatase-1 0.0019 0.0013 0.0016
Loa Loa (eye worm) serine/threonine protein phosphatase PP1-beta catalytic subunit 0.0031 0.0088 0.0236
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0199 0.1146 0.1399
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.0411 0.1289

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 93 % Inhibition of human adenosine 2A receptor at 1 mM ChEMBL. 20095623
Ki (binding) = 2.8 uM Inhibition of human adenosine 2A receptor ChEMBL. 20095623

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

1 literature reference was collected for this gene.

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