Detailed information for compound 309074

Basic information

Technical information
  • TDR Targets ID: 309074
  • Name: 5-N-[[(2R)-1-[[2-fluoro-4-(trifluoromethyl)ph enyl]methyl]pyrrolidin-2-yl]methyl]-2-(furan- 2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5 ,7-diamine
  • MW: 476.43 | Formula: C21H20F4N8O
  • H donors: 2 H acceptors: 4 LogP: 3.67 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cc(ccc1CN1CCC[C@@H]1CNc1nc(N)n2c(n1)nc(n2)c1ccco1)C(F)(F)F
  • InChi: 1S/C21H20F4N8O/c22-15-9-13(21(23,24)25)6-5-12(15)11-32-7-1-3-14(32)10-27-19-29-18(26)33-20(30-19)28-17(31-33)16-4-2-8-34-16/h2,4-6,8-9,14H,1,3,7,10-11H2,(H3,26,27,28,29,30,31)/t14-/m1/s1
  • InChiKey: ZDEJVXIGZFRQNW-CQSZACIVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N5-[[(2R)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methyl]-2-(2-furyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
  • N5-[[(2R)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinyl]methyl]-2-(2-furyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
  • N5-[[(2R)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
  • [7-amino-2-(2-furyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]-[[(2R)-1-[2-fluoro-4-(trifluoromethyl)benzyl]pyrrolidin-2-yl]methyl]amine
  • N-[[(2R)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methyl]-2-furan-2-yl-[1,2,4]triazolo[5,1-f][1,3,5]triazine-5,7-diamine
  • N-[[(2R)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methyl]-2-(2-furyl)-[1,2,4]triazolo[5,1-f][1,3,5]triazine-5,7-diamine
  • N-[[(2R)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinyl]methyl]-2-(2-furyl)-[1,2,4]triazolo[5,1-f][1,3,5]triazine-5,7-diamine
  • [7-amino-2-(2-furyl)-[1,2,4]triazolo[1,5-e][1,3,5]triazin-5-yl]-[[(2R)-1-[2-fluoro-4-(trifluoromethyl)benzyl]pyrrolidin-2-yl]methyl]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Adenosine A2a receptor Starlite/ChEMBL References
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
Onchocerca volvulus Adenosine A1 receptor   326 aa 306 aa 21.2 %
Echinococcus multilocularis neuropeptide receptor Adenosine A1 receptor   326 aa 299 aa 22.4 %
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 %
Schistosoma mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 311 aa 21.2 %
Schistosoma japonicum Alpha-1A adrenergic receptor, putative Adenosine A1 receptor   326 aa 295 aa 28.1 %
Schistosoma mansoni peptide (allatostatin)-like receptor Adenosine A1 receptor   326 aa 327 aa 24.8 %
Brugia malayi hypothetical protein Adenosine A1 receptor   326 aa 305 aa 21.0 %
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 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Adenosine A2a receptor   410 aa 346 aa 28.3 %
Onchocerca volvulus Adenosine A2a receptor   410 aa 337 aa 23.1 %
Echinococcus granulosus allatostatin A receptor Adenosine A2a receptor   410 aa 368 aa 22.6 %
Schistosoma mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 274 aa 22.6 %
Loa Loa (eye worm) neuropeptide F receptor Adenosine A1 receptor   326 aa 316 aa 19.9 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Adenosine A2a receptor   410 aa 366 aa 25.4 %
Onchocerca volvulus Adenosine A2a receptor   410 aa 356 aa 23.9 %
Echinococcus granulosus thyrotropin releasing hormone receptor Adenosine A2a receptor   410 aa 342 aa 23.1 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 304 aa 21.1 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Adenosine A2a receptor   410 aa 342 aa 23.1 %
Schistosoma mansoni biogenic amine (5HT) receptor Adenosine A2a receptor   410 aa 399 aa 28.1 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Adenosine A2a receptor   410 aa 352 aa 23.6 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Adenosine A1 receptor   326 aa 317 aa 24.6 %
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Adenosine A1 receptor   326 aa 286 aa 26.9 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Adenosine A2a receptor   410 aa 340 aa 27.9 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 323 aa 20.7 %
Onchocerca volvulus Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog Adenosine A1 receptor   326 aa 286 aa 22.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0034 0.0006 0.0016
Loa Loa (eye worm) G-protein coupled receptor 0.0034 0.0006 0.0006
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0034 0.0006 0.0006
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0034 0.0006 0.0028
Schistosoma mansoni adenoreceptor 0.0034 0.0006 0.0028
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0034 0.0006 0.0016
Schistosoma mansoni integrin alpha-ps 0.0035 0.0014 0.0066
Loa Loa (eye worm) G-protein coupled receptor 0.0034 0.0006 0.0006
Loa Loa (eye worm) integrin alpha pat-2 0.0234 0.0991 0.0991
Echinococcus granulosus tm gpcr rhodopsin 0.0034 0.0006 0.0028
Echinococcus granulosus tachykinin peptides receptor 99D 0.0034 0.0006 0.0028
Echinococcus multilocularis dihydrofolate reductase 0.0187 0.0761 0.2004
Entamoeba histolytica glycogen phosphorylase, putative 0.0104 0.0352 1
Echinococcus multilocularis integrin alpha 3 0.0116 0.0412 0.1086
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0034 0.0006 0.0016
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0034 0.0006 0.0028
Schistosoma mansoni ap endonuclease 0.0037 0.0021 0.0102
Echinococcus multilocularis neuropeptides capa receptor 0.0034 0.0006 0.0016
Schistosoma mansoni dihydrofolate reductase 0.0187 0.0761 0.3625
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Schistosoma mansoni neuropeptide f receptor 76f 0.0034 0.0006 0.0028
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.0006 0.0028
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0034 0.0006 0.0028
Echinococcus granulosus neuropeptides capa receptor 0.0034 0.0006 0.0028
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0034 0.0006 0.0028
Echinococcus granulosus glycogen phosphorylase 0.0104 0.0352 0.1679
Echinococcus multilocularis sex peptide receptor 0.0034 0.0006 0.0016
Echinococcus multilocularis neuropeptide receptor 0.0034 0.0006 0.0016
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.0006 0.0016
Echinococcus granulosus glycogen phosphorylase 0.0104 0.0352 0.1679
Loa Loa (eye worm) dihydrofolate reductase 0.0187 0.0761 0.0761
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Echinococcus multilocularis g-protein coupled receptor 0.0034 0.0006 0.0016
Loa Loa (eye worm) TYRA-2 protein 0.0034 0.0006 0.0006
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0115 0.0405 0.0399
Echinococcus multilocularis glycogen phosphorylase 0.0104 0.0352 0.0928
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0034 0.0006 0.0016
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0034 0.0006 0.0006
Echinococcus granulosus dro:myosuppressin receptor 0.0034 0.0006 0.0028
Echinococcus granulosus 7TM GPCR rhodopsin 0.0034 0.0006 0.0028
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.0006 0.0028
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0034 0.0006 0.0016
Echinococcus multilocularis neuropeptide receptor A26 0.0034 0.0006 0.0016
Brugia malayi MH2 domain containing protein 0.0118 0.0422 0.0416
Echinococcus granulosus g-protein coupled receptor 0.0034 0.0006 0.0028
Echinococcus granulosus neuropeptide receptor A26 0.0034 0.0006 0.0028
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0034 0.0006 0.0028
Echinococcus multilocularis neuropeptides capa receptor 0.0034 0.0006 0.0016
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0647 0.302 1
Brugia malayi exodeoxyribonuclease III family protein 0.0037 0.0021 0.0015
Echinococcus multilocularis neuropeptide Y receptor 0.0034 0.0006 0.0016
Schistosoma mansoni neuropeptide receptor 0.0034 0.0006 0.0028
Echinococcus multilocularis fmrfamide receptor 0.0034 0.0006 0.0016
Schistosoma mansoni glycogen phosphorylase 0.0045 0.0061 0.0292
Echinococcus granulosus tm gpcr rhodopsin 0.0034 0.0006 0.0028
Giardia lamblia Glycogen phosphorylase 0.0104 0.0352 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Entamoeba histolytica glycogen phosphorylase, putative 0.0045 0.0061 0.1204
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0034 0.0006 0.0016
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.0422 0.0422
Schistosoma mansoni biogenic amine receptor 0.0034 0.0006 0.0028
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Loa Loa (eye worm) thymidylate synthase 0.0459 0.2099 0.2099
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0187 0.0761 0.3559
Schistosoma mansoni growth hormone secretagogue receptor 0.0034 0.0006 0.0028
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0459 0.2099 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0034 0.0006 0.0028
Schistosoma mansoni biogenic amine receptor 0.0034 0.0006 0.0028
Schistosoma mansoni opsin-like receptor 0.0034 0.0006 0.0028
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0034 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Echinococcus granulosus rhodopsin orphan GPCR 0.0034 0.0006 0.0028
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0034 0.0006 0.0028
Echinococcus multilocularis fmrfamide receptor 0.0034 0.0006 0.0016
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.0006 0.0016
Schistosoma mansoni neuropeptide receptor 0.0034 0.0006 0.0028
Brugia malayi hypothetical protein 0.0219 0.0914 0.0909
Echinococcus granulosus allatostatin A receptor 0.0034 0.0006 0.0028
Schistosoma mansoni amine GPCR 0.0034 0.0006 0.0028
Brugia malayi sulfakinin receptor protein 0.2066 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0034 0.0006 0.0028
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0805 0.3797 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.0006 0.0016
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.0006 0.0016
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.0006 0.0028
Loa Loa (eye worm) neuropeptide F receptor 0.0034 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Brugia malayi carbohydrate phosphorylase 0.0104 0.0352 0.0347
Echinococcus multilocularis integrin alpha ps 0.0068 0.0174 0.0459
Echinococcus multilocularis orexin receptor type 2 0.0034 0.0006 0.0016
Echinococcus multilocularis thymidylate synthase 0.0459 0.2099 0.5528
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0647 0.302 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0034 0.0006 0.0028
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Echinococcus granulosus Glycosyl transferase family 35 0.0104 0.0352 0.1679
Echinococcus granulosus neuropeptide Y receptor 0.0034 0.0006 0.0028
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0034 0.0006 0.0028
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Echinococcus granulosus hypothetical protein 0.0034 0.0006 0.0028
Echinococcus multilocularis g protein coupled receptor 0.0034 0.0006 0.0016
Schistosoma mansoni neuropeptide receptor 0.0034 0.0006 0.0028
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.0006 0.0028
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0647 0.302 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.0006 0.0028
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.0006 0.0028
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0034 0.0006 0.0028
Brugia malayi Dihydrofolate reductase 0.0187 0.0761 0.0755
Echinococcus multilocularis neuropeptide receptor 0.0034 0.0006 0.0016
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Loa Loa (eye worm) melatonin receptor type 1A 0.0034 0.0006 0.0006
Echinococcus multilocularis g protein coupled receptor 0.0034 0.0006 0.0016
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0034 0.0006 0.0028
Echinococcus granulosus neuropeptides capa receptor 0.0034 0.0006 0.0028
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0034 0.0006 0.0016
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0084 0.0252 0.0252
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0034 0.0006 0.0016
Echinococcus multilocularis serotonin receptor 0.0034 0.0006 0.0016
Schistosoma mansoni amine GPCR 0.0034 0.0006 0.0028
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0037 0.0021 0.0102
Schistosoma mansoni neuropeptide receptor 0.0034 0.0006 0.0028
Brugia malayi thymidylate synthase 0.0459 0.2099 0.2094
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0459 0.2099 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0034 0.0006 0.0028
Schistosoma mansoni neuropeptide F-like receptor 0.0034 0.0006 0.0028
Schistosoma mansoni amine GPCR 0.0034 0.0006 0.0028
Echinococcus multilocularis neuropeptide FF receptor 2 0.0034 0.0006 0.0016
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.0006 0.0028
Echinococcus multilocularis somatostatin receptor 0.0034 0.0006 0.0016
Echinococcus multilocularis serotonin receptor 0.0034 0.0006 0.0016
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0459 0.2099 1
Brugia malayi Integrin alpha pat-2 precursor 0.0152 0.0587 0.0581
Schistosoma mansoni hypothetical protein 0.0034 0.0006 0.0028
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Echinococcus granulosus biogenic amine 5HT receptor 0.0034 0.0006 0.0028
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0034 0.0006 0.0028
Loa Loa (eye worm) glycogen phosphorylase 0.0104 0.0352 0.0352
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0045 0.0061 0.0192
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0647 0.302 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Brugia malayi dihydrofolate reductase family protein 0.0187 0.0761 0.0755
Schistosoma mansoni hypothetical protein 0.0034 0.0006 0.0028
Echinococcus multilocularis dro:myosuppressin receptor 0.0034 0.0006 0.0016
Echinococcus granulosus serotonin receptor 0.0034 0.0006 0.0028
Echinococcus granulosus neuropeptide receptor 0.0034 0.0006 0.0028
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.0006 0.0016
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0034 0.0006 0.0028
Echinococcus granulosus fmrfamide receptor 0.0034 0.0006 0.0028
Echinococcus granulosus rhodopsin orphan GPCR 0.0034 0.0006 0.0028
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0647 0.302 1
Schistosoma mansoni hypothetical protein 0.0034 0.0006 0.0028
Echinococcus granulosus integrin alpha 3 0.0116 0.0412 0.1964
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.0006 0.0016
Echinococcus multilocularis allatostatin A receptor 0.0034 0.0006 0.0016
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Trichomonas vaginalis glycogen phosphorylase, putative 0.0104 0.0352 0.3708
Schistosoma mansoni biogenic amine (5HT) receptor 0.0034 0.0006 0.0028
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Echinococcus multilocularis integrin alpha ps 0.0068 0.0174 0.0459
Echinococcus granulosus neuropeptide receptor 0.0034 0.0006 0.0028
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0034 0.0006 0.0028
Echinococcus granulosus g protein coupled receptor 0.0034 0.0006 0.0028
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Echinococcus granulosus dihydrofolate reductase 0.0187 0.0761 0.3625
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Entamoeba histolytica glycogen phosphorylase, putative 0.0045 0.0061 0.1204
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0034 0.0006 0.0016
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0034 0.0006 0.0028
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.0006 0.0016
Onchocerca volvulus 0.0459 0.2099 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0034 0.0006 0.0028
Schistosoma mansoni myosin xvIII 0.0034 0.0006 0.0028
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0034 0.0006 0.0016
Echinococcus granulosus neuropeptide s receptor 0.0034 0.0006 0.0028
Trichomonas vaginalis glycogen phosphorylase, putative 0.0104 0.0352 0.3708
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0037 0.0021 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.0006 0.0028
Chlamydia trachomatis dihydrofolate reductase 0.0187 0.0761 1
Mycobacterium tuberculosis Hypothetical protein 0.0219 0.0914 0.4298
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0037 0.0021 0.0056
Schistosoma mansoni hypothetical protein 0.0034 0.0006 0.0028
Schistosoma mansoni opsin-like receptor 0.0034 0.0006 0.0028
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0647 0.302 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0034 0.0006 0.0016
Treponema pallidum exodeoxyribonuclease (exoA) 0.0037 0.0021 0.5
Echinococcus multilocularis Glycosyl transferase, family 35 0.0104 0.0352 0.0928
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Echinococcus multilocularis glycogen phosphorylase 0.0104 0.0352 0.0928
Echinococcus granulosus G protein coupled receptor 139 0.0034 0.0006 0.0028
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Echinococcus granulosus 7tm_1 domain containing protein 0.0034 0.0006 0.0028
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0187 0.0761 0.3559
Schistosoma mansoni neuropeptide F-like receptor 0.0034 0.0006 0.0028
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0034 0.0006 0.0016
Loa Loa (eye worm) hypothetical protein 0.0115 0.0405 0.0405
Schistosoma mansoni histamine h1 receptor 0.0034 0.0006 0.0028
Schistosoma mansoni glycogen phosphorylase 0.0104 0.0352 0.1679
Schistosoma mansoni biogenic amine receptor 0.0034 0.0006 0.0028
Schistosoma mansoni opsin-like receptor 0.0034 0.0006 0.0028
Echinococcus granulosus neuropeptide Y receptor 0.0034 0.0006 0.0028
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0034 0.0006 0.0016
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0034 0.0006 0.0028
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0034 0.0006 0.0006
Trichomonas vaginalis conserved hypothetical protein 0.0219 0.0914 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Echinococcus granulosus orexin receptor type 2 0.0034 0.0006 0.0028
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Schistosoma mansoni integrin alpha-ps 0.0068 0.0174 0.0831
Schistosoma mansoni amine GPCR 0.0034 0.0006 0.0028
Onchocerca volvulus Glycogen phosphorylase homolog 0.0104 0.0352 0.1656
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.0006 0.0016
Echinococcus granulosus rhodopsin orphan GPCR 0.0034 0.0006 0.0028
Echinococcus granulosus biogenic amine 5HT receptor 0.0034 0.0006 0.0028
Loa Loa (eye worm) hypothetical protein 0.2066 1 1
Echinococcus multilocularis neuropeptide s receptor 0.0034 0.0006 0.0016
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0034 0.0006 0.0006
Echinococcus granulosus rhodopsin orphan GPCR 0.0034 0.0006 0.0028
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0219 0.0914 0.2978
Loa Loa (eye worm) neuropeptide F receptor 0.0034 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Echinococcus multilocularis neuropeptide Y receptor 0.0034 0.0006 0.0016
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0034 0.0006 0.0028
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.0006 0.0028
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0034 0.0006 0.0016
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Echinococcus granulosus alpha 1A adrenergic receptor 0.0034 0.0006 0.0028
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0034 0.0006 0.0028
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.0422 0.0422
Echinococcus granulosus peptide allatostatin:somatostatin 0.0034 0.0006 0.0028
Echinococcus multilocularis G protein coupled receptor 139 0.0034 0.0006 0.0016
Echinococcus multilocularis G-protein coupled receptor, putative 0.0034 0.0006 0.0016
Mycobacterium ulcerans thymidylate synthase 0.0459 0.2099 1
Schistosoma mansoni glycogen phosphorylase 0.0104 0.0352 0.1679
Echinococcus granulosus g protein coupled receptor 0.0034 0.0006 0.0028
Echinococcus granulosus g protein coupled receptor 0.0034 0.0006 0.0028
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Echinococcus granulosus rhodopsin orphan GPCR 0.0034 0.0006 0.0028
Schistosoma mansoni biogenic amine (5HT) receptor 0.0034 0.0006 0.0028
Loa Loa (eye worm) hypothetical protein 0.0119 0.0426 0.0426
Echinococcus granulosus integrin alpha ps 0.0068 0.0174 0.0831
Echinococcus multilocularis g protein coupled receptor 0.0034 0.0006 0.0016
Schistosoma mansoni amine GPCR 0.0034 0.0006 0.0028
Loa Loa (eye worm) hypothetical protein 0.0035 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0037 0.0021 0.0021
Echinococcus granulosus somatostatin receptor 0.0034 0.0006 0.0028
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0034 0.0006 0.0028
Schistosoma mansoni ap endonuclease 0.0037 0.0021 0.0102
Echinococcus granulosus sex peptide receptor 0.0034 0.0006 0.0028
Echinococcus granulosus thymidylate synthase 0.0459 0.2099 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Echinococcus granulosus rhodopsin orphan GPCR 0.0034 0.0006 0.0028
Echinococcus granulosus tm gpcr rhodopsin 0.0034 0.0006 0.0028
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0045 0.0061 0.0192
Entamoeba histolytica glycogen phosphorylase, putative 0.0104 0.0352 1
Schistosoma mansoni integrin alpha 0.0152 0.0587 0.2795
Loa Loa (eye worm) hypothetical protein 0.0034 0.0006 0.0006
Entamoeba histolytica glycogenphosphorylase, putative 0.0045 0.0061 0.1204

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 5 nM Inhibition of [3H]-ZM-241,385 binding to adenosine A2a receptor of rat brain tissue ChEMBL. 15771443
Ki (binding) = 5 nM Inhibition of [3H]-ZM-241,385 binding to adenosine A2a receptor of rat brain tissue ChEMBL. 15771443
Ki (binding) > 250 nM Inhibition of [3H]-DPCPX binding to adenosine A1 receptor of rat cerebral cortex ChEMBL. 15771443
Ki (binding) > 250 nM Inhibition of [3H]-DPCPX binding to adenosine A1 receptor of rat cerebral cortex ChEMBL. 15771443

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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