Detailed information for compound 116801

Basic information

Technical information
  • TDR Targets ID: 116801
  • Name: 1-(2-methoxyphenyl)-3-(2-pyridin-2-ylquinazol in-4-yl)urea
  • MW: 371.392 | Formula: C21H17N5O2
  • H donors: 2 H acceptors: 4 LogP: 3.04 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1NC(=O)Nc1nc(nc2c1cccc2)c1ccccn1
  • InChi: 1S/C21H17N5O2/c1-28-18-12-5-4-10-16(18)24-21(27)26-19-14-8-2-3-9-15(14)23-20(25-19)17-11-6-7-13-22-17/h2-13H,1H3,(H2,23,24,25,26,27)
  • InChiKey: GCKZXLFIXXZGHV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2-methoxyphenyl)-3-[2-(2-pyridyl)quinazolin-4-yl]urea
  • 1-(2-methoxyphenyl)-3-[2-(2-pyridyl)-4-quinazolinyl]urea
  • 3-(2-methoxyphenyl)-1-(2-pyridin-2-ylquinazolin-4-yl)urea
  • 3-(2-methoxyphenyl)-1-[2-(2-pyridyl)quinazolin-4-yl]urea
  • 3-(2-methoxyphenyl)-1-[2-(2-pyridyl)-4-quinazolinyl]urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Adenosine A1 receptor Starlite/ChEMBL References
Homo sapiens adenosine A3 receptor Starlite/ChEMBL References
Rattus norvegicus 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
Onchocerca volvulus Adenosine A1 receptor   326 aa 306 aa 21.2 %
Schistosoma mansoni biogenic amine (5HT) receptor Adenosine A2a receptor   410 aa 399 aa 28.1 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Adenosine A2a receptor   410 aa 366 aa 25.4 %
Echinococcus granulosus allatostatin A receptor Adenosine A2a receptor   410 aa 368 aa 22.6 %
Onchocerca volvulus Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog Adenosine A1 receptor   326 aa 286 aa 22.7 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Adenosine A2a receptor   410 aa 352 aa 23.6 %
Brugia malayi hypothetical protein Adenosine A1 receptor   326 aa 305 aa 21.0 %
Onchocerca volvulus Adenosine A2a receptor   410 aa 356 aa 23.9 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Adenosine A2a receptor   410 aa 342 aa 23.1 %
Onchocerca volvulus Adenosine A2a receptor   410 aa 337 aa 23.1 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Adenosine A2a receptor   410 aa 346 aa 28.3 %
Schistosoma mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 311 aa 21.2 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Adenosine A2a receptor   410 aa 340 aa 27.9 %
Schistosoma japonicum Alpha-1A adrenergic receptor, putative Adenosine A1 receptor   326 aa 295 aa 28.1 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Adenosine A1 receptor   326 aa 317 aa 24.6 %
Schistosoma mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 274 aa 22.6 %
Echinococcus granulosus thyrotropin releasing hormone receptor Adenosine A2a receptor   410 aa 342 aa 23.1 %
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 %
Loa Loa (eye worm) neuropeptide F receptor Adenosine A1 receptor   326 aa 316 aa 19.9 %
Echinococcus multilocularis neuropeptide receptor Adenosine A1 receptor   326 aa 299 aa 22.4 %
Echinococcus multilocularis allatostatin A receptor Adenosine A2a receptor   410 aa 372 aa 22.8 %
Schistosoma mansoni dro/myosuppressin receptor Adenosine A1 receptor   326 aa 326 aa 22.1 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 304 aa 21.1 %
Schistosoma mansoni peptide (allatostatin)-like receptor Adenosine A1 receptor   326 aa 327 aa 24.8 %
Echinococcus granulosus neuropeptide receptor Adenosine A1 receptor   326 aa 299 aa 22.4 %
Loa Loa (eye worm) hypothetical protein Adenosine A1 receptor   326 aa 300 aa 24.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Pre-SET motif family protein 0.0198 0.1028 0.113
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit 0.0062 0.0193 0.0254
Echinococcus granulosus disco interacting protein 2 0.049 0.2812 0.5304
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0416 0.2363 0.4394
Brugia malayi Skb1 methyltransferase family protein 0.0063 0.0198 0.0217
Loa Loa (eye worm) hypothetical protein 0.0297 0.1635 0.1799
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0077 0.0286 0.5
Toxoplasma gondii hypothetical protein 0.1075 0.64 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0077 0.0286 0.027
Brugia malayi F/Y-rich N-terminus family protein 0.0033 0.0017 0.0019
Onchocerca volvulus 0.0275 0.1498 0.1498
Echinococcus granulosus metastasis associated protein MTA1 0.0056 0.016 0.0302
Echinococcus multilocularis cpg binding protein 0.0458 0.2616 0.4934
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0031 0.0007 0.0015
Schistosoma mansoni suppressor of variegation 4-20-related 0.0143 0.0688 0.1522
Mycobacterium ulcerans spermidine synthase 0.0675 0.3946 1
Plasmodium vivax protein arginine N-methyltransferase 5, putative 0.0063 0.0198 0.0372
Echinococcus multilocularis PWWP domain containing protein 2A 0.0121 0.0554 0.1044
Brugia malayi S-adenosylmethionine decarboxylase proenzyme 0.0321 0.1781 0.1959
Leishmania major hypothetical protein, conserved 0.0098 0.0412 0.076
Leishmania major methylthioadenosine phosphorylase, putative 0.0416 0.2363 0.4447
Trypanosoma cruzi Histone methylation protein DOT1, putative 0.0098 0.0412 0.0672
Schistosoma mansoni bromo adjacent homology domain containing 0.0056 0.016 0.0355
Loa Loa (eye worm) hypothetical protein 0.0118 0.0535 0.0589
Loa Loa (eye worm) Skb1 methyltransferase 0.0063 0.0198 0.0217
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0225 0.1191 0.2247
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0073 0.0137
Trypanosoma brucei cytosine-specific DNA methylase, putative 0.0627 0.3652 0.6853
Echinococcus granulosus purine nucleoside phosphorylase 0.0077 0.0286 0.054
Brugia malayi SET domain containing protein 0.0073 0.0261 0.0287
Echinococcus granulosus PWWP domain containing protein 2A 0.0121 0.0554 0.1044
Echinococcus multilocularis DNA methyltransferase 2, putative 0.0627 0.3652 0.6888
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0077 0.0286 0.0277
Entamoeba histolytica Skb1 methyltransferase, putative 0.0063 0.0198 0.0013
Trypanosoma cruzi hypothetical protein, conserved 0.0121 0.0554 0.0942
Brugia malayi hypothetical protein 0.0297 0.1635 0.1799
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0163 0.0812 0.1797
Leishmania major spermidine synthase 0.0896 0.5302 1
Loa Loa (eye worm) hypothetical protein 0.0934 0.5534 0.6087
Echinococcus multilocularis arginine glutamic acid dipeptide (RE) repeats 0.0056 0.016 0.0302
Schistosoma mansoni cpg binding protein 0.0456 0.2606 0.5762
Echinococcus granulosus cpg binding protein 0.0458 0.2616 0.4934
Schistosoma mansoni hypothetical protein 0.0121 0.0554 0.1224
Schistosoma mansoni hepatoma derived growth factor 0.0121 0.0554 0.1224
Echinococcus granulosus bromo adjacent y domain containing 1 0.0056 0.016 0.0302
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0077 0.0286 0.0286
Schistosoma mansoni jumonji domain containing protein 0.0079 0.0297 0.0657
Trypanosoma cruzi spermidine synthase, putative 0.0896 0.5302 1
Schistosoma mansoni hypothetical protein 0.0176 0.0893 0.1974
Toxoplasma gondii hypothetical protein 0.0121 0.0554 0.0865
Brugia malayi hypothetical protein 0.0121 0.0554 0.0609
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0077 0.0286 0.027
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0225 0.1191 0.2635
Echinococcus multilocularis metastasis associated protein MTA1 0.0056 0.016 0.0302
Echinococcus multilocularis purine nucleoside phosphorylase 0.0077 0.0286 0.054
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0099 0.0422 0.0796
Brugia malayi ELM2 domain containing protein 0.0056 0.016 0.0176
Echinococcus granulosus histone h3 methyltransferase 0.0769 0.4522 0.8529
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0099 0.0422 0.0796
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0198 0.0217
Echinococcus multilocularis peregrin 0.0151 0.0739 0.1394
Brugia malayi Disco-interacting protein 2 homolog 0.049 0.2812 0.3093
Echinococcus multilocularis uridine phosphorylase 1 0.0077 0.0286 0.054
Onchocerca volvulus 0.0456 0.2606 0.2606
Echinococcus granulosus purine nucleoside phosphorylase 0.0077 0.0286 0.054
Trypanosoma cruzi MIZ/SP-RING zinc finger, putative 0.0121 0.0554 0.0942
Loa Loa (eye worm) hypothetical protein 0.0297 0.1635 0.1799
Echinococcus multilocularis SET and MYND domain containing protein 3 0.0073 0.0264 0.0498
Toxoplasma gondii phosphorylase family protein 0.0077 0.0286 0.0447
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0321 0.1781 0.3283
Brugia malayi NNMT/PNMT/TEMT family protein 0.0934 0.5534 0.6087
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0416 0.2363 0.2599
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0077 0.0286 0.0315
Plasmodium vivax histone-lysine N-methyltransferase, putative 0.0088 0.0354 0.0667
Echinococcus multilocularis microtubule associated protein 2 0.0721 0.4231 0.798
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0077 0.0286 1
Plasmodium falciparum protein arginine N-methyltransferase 5, putative 0.0063 0.0198 0.0309
Echinococcus granulosus protein arginine N methyltransferase 8 0.0032 0.001 0.0018
Echinococcus granulosus purine nucleoside phosphorylase 0.0077 0.0286 0.054
Brugia malayi hypothetical protein 0.0062 0.0193 0.0212
Toxoplasma gondii C-5 cytosine-specific DNA methylase superfamily protein 0.0627 0.3652 0.5707
Trypanosoma brucei Histone-lysine N-methyltransferase, H3 lysine-76 specific 0.0098 0.0412 0.0672
Echinococcus granulosus protein arginine N methyltransferase 7 0.0155 0.0764 0.144
Trypanosoma brucei histone-lysine n-methyltransferase 0.0098 0.0412 0.0672
Brugia malayi jmjC domain containing protein 0.0038 0.005 0.0054
Loa Loa (eye worm) protein arginine N-methyltransferase 0.0155 0.0764 0.084
Schistosoma mansoni shk1 kinase-binding protein 0.0063 0.0198 0.0437
Loa Loa (eye worm) hypothetical protein 0.0052 0.0133 0.0146
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0416 0.2363 0.5674
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0321 0.1781 0.3283
Schistosoma mansoni protein arginine n-methyltransferase 0.0125 0.0581 0.1284
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0073 0.0137
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0077 0.0286 0.0277
Echinococcus granulosus spermidine synthase 0.0896 0.5302 1
Brugia malayi Carm1-pending protein 0.0151 0.074 0.0814
Echinococcus multilocularis protein arginine N methyltransferase 7 0.0155 0.0764 0.144
Echinococcus multilocularis histone lysine N methyltransferase, H3 lysine 36 0.0135 0.0643 0.1214
Mycobacterium tuberculosis Probable spermidine synthase SpeE (putrescine aminopropyltransferase) (aminopropyltransferase) (SPDSY) 0.0675 0.3946 1
Echinococcus multilocularis polybromo 1 0.0056 0.016 0.0302
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0077 0.0286 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0077 0.0286 0.0432
Loa Loa (eye worm) PWWP domain-containing protein 0.0121 0.0554 0.0609
Schistosoma mansoni hypothetical protein 0.0054 0.0146 0.0322
Echinococcus granulosus SET and MYND domain containing protein 3 0.0073 0.0264 0.0498
Plasmodium falciparum protein arginine N-methyltransferase 1 0.0032 0.001 0.0015
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0156 0.0772 0.1207
Chlamydia trachomatis AMP nucleosidase 0.0077 0.0286 0.5
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.0056 0.016 0.0355
Onchocerca volvulus 0.0133 0.0631 0.0631
Trypanosoma cruzi spermidine synthase, putative 0.0896 0.5302 1
Schistosoma mansoni methylthioadenosine phosphorylase 0.0077 0.0286 0.0633
Echinococcus multilocularis protein arginine N methyltransferase 8 0.0032 0.001 0.0018
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0077 0.0286 1
Echinococcus multilocularis protein arginine N methyltransferase 5 0.0063 0.0198 0.0372
Trichomonas vaginalis set domain proteins, putative 0.1663 1 1
Echinococcus granulosus histone arginine methyltransferase CARMER 0.0151 0.074 0.1395
Echinococcus multilocularis purine nucleoside phosphorylase 0.0077 0.0286 0.054
Leishmania major hypothetical protein, conserved 0.0121 0.0554 0.1028
Trypanosoma brucei S-adenosylmethionine decarboxylase proenzyme, putative 0.0321 0.1781 0.3283
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0077 0.0286 0.0277
Schistosoma mansoni microtubule-associated protein tau 0.0721 0.4231 0.9356
Loa Loa (eye worm) spermidine synthase 0.0896 0.5302 0.5832
Loa Loa (eye worm) hypothetical protein 0.0769 0.4522 0.4974
Brugia malayi PWWP domain containing protein 0.0121 0.0554 0.0609
Echinococcus granulosus purine nucleoside phosphorylase 0.0077 0.0286 0.054
Loa Loa (eye worm) hypothetical protein 0.0934 0.5534 0.6087
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0321 0.1781 0.3283
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0077 0.0286 0.054
Toxoplasma gondii Purine nucleoside phosphorylase 0.0077 0.0286 0.0447
Loa Loa (eye worm) hypothetical protein 0.0121 0.0554 0.0609
Schistosoma mansoni cpg binding protein 0.0458 0.2616 0.5786
Mycobacterium leprae probable uridine phosphorylase 0.0077 0.0286 0.5
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0032 0.001 0.0021
Plasmodium vivax spermidine synthase, putative 0.0896 0.5302 1
Trichomonas vaginalis conserved hypothetical protein 0.0077 0.0286 0.0277
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0032 0.001 0.0021
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.0056 0.016 0.0355
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0183 0.0938 0.1769
Brugia malayi Protein arginine N-methyltransferase 0.0155 0.0764 0.084
Echinococcus granulosus histone lysine methyltransferase setb 0.0225 0.1191 0.2247
Schistosoma mansoni hepatoma derived growth factor 0.0121 0.0554 0.1224
Schistosoma mansoni phd finger protein 0.0121 0.0554 0.1224
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0062 0.0193 0.0254
Schistosoma mansoni enhancer of zeste ezh 0.0303 0.1668 0.3688
Schistosoma mansoni hypothetical protein 0.0056 0.016 0.0355
Schistosoma mansoni DNA (cytosine-5)-methyltransferase 0.0627 0.3652 0.8077
Toxoplasma gondii DNA methyltransferase 2, putative 0.0627 0.3652 0.5707
Loa Loa (eye worm) SET domain-containing protein 0.0143 0.0688 0.0757
Schistosoma mansoni purine nucleoside phosphorylase 0.0077 0.0286 0.0633
Trypanosoma cruzi arginine N-methyltransferase, type III 0.0155 0.0764 0.1343
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0077 0.0286 0.027
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.005 0.0109
Echinococcus granulosus microtubule associated protein 2 0.0721 0.4231 0.798
Schistosoma mansoni SET domain protein 0.0137 0.0654 0.1446
Schistosoma mansoni protein arginine n-methyltransferase 0.0151 0.074 0.1636
Brugia malayi SET domain containing protein 0.0143 0.0688 0.0757
Echinococcus multilocularis metastasis associated protein 1 (mta1) 0.0056 0.016 0.0302
Echinococcus granulosus metastasis associated protein 1 mta1 0.0056 0.016 0.0302
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0416 0.2363 0.4394
Echinococcus granulosus histone lysine N methyltransferase Ez 0.0303 0.1668 0.3145
Brugia malayi SET domain containing protein 0.0303 0.1668 0.1834
Loa Loa (eye worm) hypothetical protein 0.0112 0.05 0.055
Trypanosoma brucei Histone methylation protein DOT1, putative 0.0098 0.0412 0.0672
Loa Loa (eye worm) hypothetical protein 0.0056 0.016 0.0176
Toxoplasma gondii hypothetical protein 0.0098 0.0412 0.0644
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0077 0.0286 0.0277
Leishmania major histone-lysine N-methyltransferase, putative 0.0098 0.0412 0.076
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0321 0.1781 0.3283
Trypanosoma cruzi Histone methylation protein DOT1, putative 0.0098 0.0412 0.0672
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.1515 0.9092 1
Trypanosoma cruzi histone-lysine N-methyltransferase, putative 0.0098 0.0412 0.0672
Echinococcus granulosus histone lysine N methyltransferase H3 lysine 36 0.0135 0.0643 0.1214
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0225 0.1191 0.2635
Schistosoma mansoni uridine phosphorylase 0.0077 0.0286 0.0633
Echinococcus granulosus uridine phosphorylase 1 0.0077 0.0286 0.054
Echinococcus granulosus geminin 0.0176 0.0893 0.1684
Leishmania major S-adenosylmethionine decarboxylase 0.0321 0.1781 0.3347
Echinococcus granulosus purine nucleoside phosphorylase 0.0077 0.0286 0.054
Mycobacterium tuberculosis Probable 5'-methylthioadenosine phosphorylase Pnp (MTA phosphorylase) 0.0339 0.1891 0.4385
Loa Loa (eye worm) hypothetical protein 0.049 0.2812 0.3093
Trypanosoma cruzi spermidine synthase, putative 0.0896 0.5302 1
Echinococcus multilocularis disco interacting protein 2 0.049 0.2812 0.5304
Loa Loa (eye worm) hypothetical protein 0.0056 0.016 0.0176
Trichomonas vaginalis origin recognition complex subunit, putative 0.0056 0.016 0.0151
Plasmodium falciparum purine nucleoside phosphorylase 0.0077 0.0286 0.0447
Plasmodium vivax protein arginine N-methyltransferase 1, putative 0.0032 0.001 0.0018
Loa Loa (eye worm) hypothetical protein 0.0225 0.1191 0.131
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0934 0.5534 0.6087
Trypanosoma cruzi transcription elongation factor-like protein, putative 0.0121 0.0554 0.0942
Trypanosoma cruzi transcription elongation factor s-II, putative 0.0121 0.0554 0.0942
Echinococcus granulosus hepatoma derived growth factor protein 0.0121 0.0554 0.1044
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0077 0.0286 0.0277
Trichomonas vaginalis CDC6, putative 0.0056 0.016 0.0151
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0078 0.029 0.0642
Loa Loa (eye worm) hypothetical protein 0.0035 0.003 0.0033
Loa Loa (eye worm) hypothetical protein 0.0056 0.016 0.0176
Echinococcus granulosus PWWP domain containing protein 2A 0.0121 0.0554 0.1044
Schistosoma mansoni hypothetical protein 0.0176 0.0893 0.1974
Treponema pallidum uridine phosphorylase (udp) 0.0077 0.0286 0.5
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 0.0151 0.074 0.1156
Echinococcus multilocularis purine nucleoside phosphorylase 0.0077 0.0286 0.054
Plasmodium vivax SET domain protein, putative 0.0163 0.0812 0.1532
Echinococcus granulosus polybromo 1 0.0056 0.016 0.0302
Brugia malayi hypothetical protein 0.0297 0.1635 0.1799
Trypanosoma cruzi protein arginine n-methyltransferase 7 0.0155 0.0764 0.1343
Loa Loa (eye worm) hypothetical protein 0.0071 0.0252 0.0278
Echinococcus multilocularis histone lysine n methyltransferase suv420h1 0.0143 0.0688 0.1298
Echinococcus multilocularis histone lysine N methyltransferase E(z) 0.0303 0.1668 0.3145
Echinococcus granulosus arginine glutamic acid dipeptide RE repeats 0.0056 0.016 0.0302
Loa Loa (eye worm) CXXC zinc finger family protein 0.0456 0.2606 0.2866
Schistosoma mansoni methylthioadenosine phosphorylase 0.0416 0.2363 0.5226
Leishmania major hypothetical protein, conserved 0.0098 0.0412 0.076
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0275 0.1498 0.3313
Brugia malayi uridine phosphorylase family protein 0.0077 0.0286 0.0315
Brugia malayi MTAP 0.0416 0.2363 0.2599
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0077 0.0286 0.5
Brugia malayi Pre-SET motif family protein 0.1515 0.9092 1
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.049 0.2812 0.6219
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0416 0.2363 0.4394
Loa Loa (eye worm) uridine phosphorylase 0.0077 0.0286 0.0315
Echinococcus multilocularis hepatoma derived growth factor protein 0.0121 0.0554 0.1044
Trypanosoma brucei uridine phosphorylase 0.0077 0.0286 0.0432
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.005 0.0054
Loa Loa (eye worm) SET domain-containing protein 0.0303 0.1668 0.1834
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0077 0.0286 0.027
Echinococcus multilocularis spermidine synthase 0.0896 0.5302 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0077 0.0286 0.054
Schistosoma mansoni histone J3 methyltransferase 0.0769 0.4522 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0077 0.0286 0.054
Echinococcus multilocularis histone lysine n methyltransferase setb1 0.0035 0.003 0.0056
Echinococcus granulosus protein arginine N methyltransferase 5 0.0063 0.0198 0.0372
Trypanosoma cruzi hypothetical protein, conserved 0.0121 0.0554 0.0942
Echinococcus multilocularis bromo adjacent y domain containing 1 0.0056 0.016 0.0302
Schistosoma mansoni uridine phosphorylase 0.0077 0.0286 0.0633
Trypanosoma cruzi spermidine synthase, putative 0.0896 0.5302 1
Toxoplasma gondii phosphorylase family protein 0.0077 0.0286 0.0447
Onchocerca volvulus 0.0121 0.0554 0.0554
Brugia malayi Histone-lysine N-methyltransferase, H3 lysine-79 specific 0.0769 0.4522 0.4974
Loa Loa (eye worm) Carm1-pending protein 0.0151 0.074 0.0814
Brugia malayi polybromodomain protein 0.0056 0.016 0.0176
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0156 0.0772 0.1456
Leishmania major arginine N-methyltransferase, type II, putative;with=GeneDB:Tb927.10.640 0.004 0.006 0.0095
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.005 0.0109
Leishmania major modification methylase-like protein 0.0627 0.3652 0.6882
Echinococcus granulosus S adenosylmethionine decarboxylase proenzyme 0.0321 0.1781 0.3359
Echinococcus multilocularis geminin 0.0176 0.0893 0.1684
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0077 0.0286 0.027
Brugia malayi GATA zinc finger family protein 0.0056 0.016 0.0176
Echinococcus granulosus protein arginine methyltransferase 0.0032 0.001 0.0018
Loa Loa (eye worm) S-adenosylmethionine decarboxylase proenzyme 0.0321 0.1781 0.1959
Onchocerca volvulus 0.0297 0.1635 0.1635
Trichomonas vaginalis shk1 kinase-binding protein, putative 0.004 0.006 0.005
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0077 0.0286 0.0277
Leishmania major arginine N-methyltransferase, type III, putative;with=GeneDB:Tb927.7.5490 0.0155 0.0764 0.1425
Entamoeba histolytica hypothetical protein 0.0121 0.0554 0.1042
Echinococcus multilocularis protein arginine methyltransferase 0.0032 0.001 0.0018
Treponema pallidum pfs protein (pfs) 0.0077 0.0286 0.5
Echinococcus multilocularis purine nucleoside phosphorylase 0.0077 0.0286 0.054
Schistosoma mansoni methylthioadenosine phosphorylase 0.0416 0.2363 0.5226
Echinococcus multilocularis PWWP domain containing protein 2A 0.0121 0.0554 0.1044
Brugia malayi SET domain containing protein 0.0127 0.059 0.0649
Giardia lamblia UPL-1 0.0077 0.0286 1
Schistosoma mansoni purine nucleoside phosphorylase 0.0077 0.0286 0.0633
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0032 0.001 0.0021
Schistosoma mansoni hypothetical protein 0.0121 0.0554 0.1224
Plasmodium falciparum histone-lysine N-methyltransferase, putative 0.0088 0.0354 0.0553
Entamoeba histolytica DNA (cytosine-5)-methyltransferase, putative 0.0627 0.3652 1
Schistosoma mansoni polybromo-1 0.0056 0.016 0.0355
Toxoplasma gondii histone arginine methyltransferase PRMT1 0.0032 0.001 0.0015
Trypanosoma brucei protein arginine n-methyltransferase 7 0.0155 0.0764 0.1343
Schistosoma mansoni cpg binding protein 0.0458 0.2616 0.5786
Echinococcus granulosus purine nucleoside phosphorylase 0.0077 0.0286 0.054
Echinococcus granulosus peregrin 0.0151 0.0739 0.1394
Echinococcus granulosus purine nucleoside phosphorylase 0.0077 0.0286 0.054
Plasmodium falciparum DNA (cytosine-5)-methyltransferase 0.0627 0.3652 0.5707
Echinococcus multilocularis histone arginine methyltransferase CARMER 0.0151 0.074 0.1395
Echinococcus granulosus histone lysine n methyltransferase setb1 0.0035 0.003 0.0056
Entamoeba histolytica hypothetical protein 0.0077 0.0286 0.027
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0163 0.0812 0.1269
Leishmania major nucleoside phosphorylase-like protein 0.0077 0.0286 0.0523
Echinococcus multilocularis histone h3 methyltransferase 0.0769 0.4522 0.8529
Toxoplasma gondii histone lysine methyltransferase SET1 0.0071 0.0249 0.0388
Loa Loa (eye worm) hypothetical protein 0.0297 0.1635 0.1799
Echinococcus multilocularis purine nucleoside phosphorylase 0.0077 0.0286 0.054
Brugia malayi CXXC zinc finger family protein 0.0456 0.2606 0.2866
Brugia malayi hypothetical protein 0.0121 0.0554 0.0609
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0039 0.0074
Brugia malayi jmjC domain containing protein 0.0099 0.0422 0.0464
Loa Loa (eye worm) hypothetical protein 0.0058 0.0171 0.0188
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0062 0.0193 0.0254
Toxoplasma gondii histone arginine methyltransferase PRMT5 0.0063 0.0198 0.0309
Plasmodium vivax DNA (cytosine-5)-methyltransferase, putative 0.0627 0.3652 0.6888
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0077 0.0286 0.0432
Trichomonas vaginalis conserved hypothetical protein 0.0077 0.0286 0.0277
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.005 0.0093
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0077 0.0286 0.0277
Trypanosoma brucei spermidine synthase 0.0896 0.5302 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.1075 0.64 1
Onchocerca volvulus 0.049 0.2812 0.2812
Schistosoma mansoni hypothetical protein 0.0121 0.0554 0.1224
Plasmodium falciparum spermidine synthase 0.0896 0.5302 0.8285
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0077 0.0286 0.0277
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0077 0.0286 0.0432
Echinococcus granulosus histone lysine n methyltransferase suv420h1 0.0143 0.0688 0.1298
Onchocerca volvulus 0.0121 0.0554 0.0554
Loa Loa (eye worm) hypothetical protein 0.0062 0.0193 0.0212
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0416 0.2363 0.4457
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.0056 0.016 0.0355
Brugia malayi Spermidine synthase 0.0896 0.5302 0.5832
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.0056 0.016 0.0355
Trypanosoma cruzi Histone-lysine N-methyltransferase, H3 lysine-76 specific 0.0098 0.0412 0.0672
Echinococcus granulosus DNA methyltransferase 2, putative 0.0627 0.3652 0.6888
Trypanosoma brucei transcription elongation factor s-II, putative 0.0121 0.0554 0.0942
Trichomonas vaginalis shk1 kinase-binding protein, putative 0.004 0.006 0.005
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0077 0.0286 0.027
Echinococcus multilocularis S adenosylmethionine decarboxylase proenzyme 0.0321 0.1781 0.3359
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0163 0.0812 0.1532
Echinococcus granulosus methylthioadenosine phosphorylase 0.0416 0.2363 0.4457

Activities

Activity type Activity value Assay description Source Reference
Displacement (binding) = 0 % Compound at 10 microM displacement of [3H]-CGS-21,680 from adenosine A2A receptor in rat striatal membrane ChEMBL. 10841801
Displacement (binding) = 0 % Compound at 10 microM displacement of [3H]-CGS-21,680 from adenosine A2A receptor in rat striatal membrane ChEMBL. 10841801
IC50 (functional) = 7.9 nM Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as blockade of Cl-IB-MECA-mediated inhibition of forskolin-stimulated [3H]cAMP accumulation by scintillation counter ChEMBL. 22468757
Ki (binding) = 4 nM Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter ChEMBL. 22468757
Ki (binding) > 10000 nM Displacement of [3H]CGS21680 from rat adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counter ChEMBL. 22468757
Ki (binding) > 10000 nM Displacement of [3H]CCPA from rat adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counter ChEMBL. 22468757
Ki (binding) = 28.2 uM Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells ChEMBL. 10841801
Ki (binding) = 28.2 uM Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells ChEMBL. 10841801
Ki (binding) = 84.5 uM Displacement of [3H]-DPCPX from adenosine A1 receptor of rat brain cortical membrane ChEMBL. 10841801
Ki (binding) = 84.5 uM Displacement of [3H]-DPCPX from adenosine A1 receptor of rat brain cortical membrane ChEMBL. 10841801

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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