Detailed information for compound 310290

Basic information

Technical information
  • TDR Targets ID: 310290
  • Name: 7-[3-[[4-[3,5-difluoro-4-(2-methoxyethoxy)phe nyl]piperazin-1-yl]methyl]phenyl]-2-(furan-2- yl)-[1,2,4]triazolo[5,1-f]pyrimidin-5-amine
  • MW: 561.582 | Formula: C29H29F2N7O3
  • H donors: 1 H acceptors: 3 LogP: 3.63 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: COCCOc1c(F)cc(cc1F)N1CCN(CC1)Cc1cccc(c1)c1nc(N)n2c(c1)nc(n2)c1ccco1
  • InChi: 1S/C29H29F2N7O3/c1-39-12-13-41-27-22(30)15-21(16-23(27)31)37-9-7-36(8-10-37)18-19-4-2-5-20(14-19)24-17-26-34-28(25-6-3-11-40-25)35-38(26)29(32)33-24/h2-6,11,14-17H,7-10,12-13,18H2,1H3,(H2,32,33)
  • InChiKey: YJKGBAFUWWZXHS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-[3-[[4-[3,5-difluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-2-(2-furyl)-[1,2,4]triazolo[5,1-f]pyrimidin-5-amine
  • 7-[3-[[4-[3,5-difluoro-4-(2-methoxyethoxy)phenyl]-1-piperazinyl]methyl]phenyl]-2-(2-furyl)-[1,2,4]triazolo[5,1-f]pyrimidin-5-amine
  • [7-[3-[[4-[3,5-difluoro-4-(2-methoxyethoxy)phenyl]piperazino]methyl]phenyl]-2-(2-furyl)-[1,2,4]triazolo[5,1-f]pyrimidin-5-yl]amine
  • 7-[3-[[4-[3,5-difluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-2-furan-2-yl-[1,2,4]triazolo[5,1-f]pyrimidin-5-amine
  • [7-[3-[[4-[3,5-difluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-2-(2-furyl)-[1,2,4]triazolo[5,1-f]pyrimidin-5-yl]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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 A2a receptor   410 aa 337 aa 23.1 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Adenosine A2a receptor   410 aa 342 aa 23.1 %
Echinococcus multilocularis allatostatin A receptor Adenosine A2a receptor   410 aa 372 aa 22.8 %
Schistosoma mansoni biogenic amine (5HT) receptor Adenosine A2a receptor   410 aa 399 aa 28.1 %
Echinococcus granulosus thyrotropin releasing hormone receptor Adenosine A2a receptor   410 aa 342 aa 23.1 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Adenosine A2a receptor   410 aa 366 aa 25.4 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Adenosine A2a receptor   410 aa 352 aa 23.6 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Adenosine A2a receptor   410 aa 340 aa 27.9 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Adenosine A2a receptor   410 aa 346 aa 28.3 %
Echinococcus granulosus allatostatin A receptor Adenosine A2a receptor   410 aa 368 aa 22.6 %
Onchocerca volvulus Adenosine A2a receptor   410 aa 356 aa 23.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0157 0.4838 0.5142
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.0157 0.4838 0.4838
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0022 0.043 0.4837
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0022 0.043 0.1913
Loa Loa (eye worm) hypothetical protein 0.0009 0.0007 0.0007
Onchocerca volvulus 0.0157 0.4838 0.5142
Schistosoma mansoni thyroid hormone receptor 0.0135 0.4128 0.4383
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0022 0.043 0.5
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.096 0.1013
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0049 0.0045
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.043 0.1913
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0049 0.0045
Brugia malayi nuclear hormone receptor 0.001 0.0049 0.0052
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0066 0.1861 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0049 0.0045
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0049 0.0052
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0022 0.043 0.4837
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0049 0.0052
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0049 0.0045
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.043 0.1913
Loa Loa (eye worm) hypothetical protein 0.0157 0.4838 0.4838
Brugia malayi Thioredoxin reductase 0.0063 0.1765 0.1875
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0066 0.1861 0.1977
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0022 0.043 0.0457
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0022 0.043 0.0449
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.1861 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0049 0.0052
Loa Loa (eye worm) hypothetical protein 0.0157 0.4838 0.4838
Onchocerca volvulus Peroxidasin homolog 0.0157 0.4838 0.5142
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.1861 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0888 0.4505
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0888 0.0937
Brugia malayi Blistered cuticle protein 3 0.0157 0.4838 0.5142
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0049 0.0052
Onchocerca volvulus 0.001 0.0049 0.0052
Plasmodium falciparum glutathione reductase 0.0022 0.043 0.2404
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0022 0.043 0.0599
Brugia malayi Animal haem peroxidase family protein 0.0157 0.4838 0.5142
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0049 0.0049
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0125 0.3801 0.4035
Brugia malayi Animal haem peroxidase family protein 0.0157 0.4838 0.5142
Loa Loa (eye worm) hypothetical protein 0.0036 0.0888 0.0888
Loa Loa (eye worm) blistered cuticle protein 3 0.0157 0.4838 0.4838
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0022 0.043 0.0449
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0413 0.4652
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.001 0.0049 0.0049
Schistosoma mansoni hypothetical protein 0.0297 0.9409 1
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0049 0.0045
Onchocerca volvulus Protein cereblon homolog 0.0297 0.9409 1
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0888 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.7174 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0888 0.0888
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0125 0.3801 0.4035
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0888 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.043 0.1913
Loa Loa (eye worm) hypothetical protein 0.0157 0.4838 0.4838
Schistosoma mansoni thyroid hormone receptor 0.0135 0.4128 0.4383
Trichomonas vaginalis mercuric reductase, putative 0.0022 0.043 0.4837
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0066 0.1861 0.1971
Loa Loa (eye worm) beta-lactamase 0.0036 0.0888 0.0888
Toxoplasma gondii NADPH-glutathione reductase 0.0022 0.043 0.2404
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.043 0.1913
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0022 0.043 0.2404
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0022 0.043 0.1913
Schistosoma mansoni peroxidasin 0.0157 0.4838 0.5138
Mycobacterium tuberculosis Conserved protein 0.0036 0.0888 0.1238
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0049 0.0052
Toxoplasma gondii ABC1 family protein 0.0036 0.0888 0.5014
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0022 0.043 0.1913
Trichomonas vaginalis DNA helicase recq, putative 0.0011 0.0091 0.1027
Trypanosoma cruzi trypanothione reductase, putative 0.0063 0.1765 0.9457
Echinococcus multilocularis protein cereblon 0.0297 0.9409 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0049 0.0049
Mycobacterium ulcerans hypothetical protein 0.0036 0.0888 1
Giardia lamblia Sgs1 DNA helicase, putative 0.0009 0.0007 0.017
Treponema pallidum NADH oxidase 0.0022 0.043 0.5
Schistosoma mansoni peroxidasin 0.0157 0.4838 0.5138
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0049 0.0045
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0022 0.043 0.1526
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0022 0.043 0.1913
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0022 0.043 0.0599
Schistosoma mansoni hypothetical protein 0.0168 0.5212 0.5536
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0049 0.0045
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0049 0.0045
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0049 0.0045
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0049 0.0045
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0413 0.0432
Trypanosoma cruzi trypanothione reductase, putative 0.0022 0.043 0.1913
Echinococcus granulosus bloom syndrome protein 0.0021 0.0413 0.0432
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0888 0.1238
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0049 0.0045
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0007 0.0008
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.043 0.1913
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0049 0.0052
Loa Loa (eye worm) hypothetical protein 0.0017 0.0273 0.0273
Brugia malayi steroid hormone receptor 0.001 0.0049 0.0052
Plasmodium falciparum thioredoxin reductase 0.0063 0.1765 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0022 0.043 0.1913
Brugia malayi nuclear receptor NHR-88 0.001 0.0049 0.0052
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0888 1
Mycobacterium leprae Probable lipase LipE 0.0036 0.0888 1
Loa Loa (eye worm) glutathione reductase 0.0063 0.1765 0.1765
Brugia malayi Animal haem peroxidase family protein 0.0157 0.4838 0.5142
Onchocerca volvulus 0.0036 0.0888 0.0944
Loa Loa (eye worm) hypothetical protein 0.0157 0.4838 0.4838
Plasmodium vivax thioredoxin reductase, putative 0.0063 0.1765 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0888 0.1238
Mycobacterium ulcerans beta-lactamase 0.0036 0.0888 1
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0049 0.0049
Plasmodium vivax glutathione reductase, putative 0.0063 0.1765 1
Leishmania major trypanothione reductase 0.0063 0.1765 0.9457
Loa Loa (eye worm) hypothetical protein 0.0157 0.4838 0.4838
Echinococcus multilocularis geminin 0.0168 0.5212 0.5536
Echinococcus multilocularis peroxidasin 0.0157 0.4838 0.5138
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0888 0.4438
Loa Loa (eye worm) hypothetical protein 0.001 0.0049 0.0049
Echinococcus granulosus thioredoxin glutathione reductase 0.0063 0.1765 0.1869
Giardia lamblia NADH oxidase lateral transfer candidate 0.0022 0.043 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0022 0.043 0.0449
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0888 0.1238
Loa Loa (eye worm) hypothetical protein 0.001 0.0049 0.0049
Onchocerca volvulus Dual oxidase homolog 0.0157 0.4838 0.5142
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0888 0.1238
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0049 0.0052
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0063 0.1765 0.2459
Plasmodium falciparum glutathione reductase 0.0063 0.1765 1
Loa Loa (eye worm) animal heme peroxidase 0.0157 0.4838 0.4838
Echinococcus granulosus FTZ F1 alpha 0.001 0.0049 0.0045
Echinococcus multilocularis thioredoxin glutathione reductase 0.0063 0.1765 0.1869
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0022 0.043 0.2404
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0049 0.0052
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0888 0.1238
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0022 0.043 0.1913
Onchocerca volvulus 0.0036 0.0888 0.0944
Brugia malayi follicle stimulating hormone receptor 0.0233 0.7319 0.7779
Loa Loa (eye worm) hypothetical protein 0.0157 0.4838 0.4838
Brugia malayi glutathione reductase 0.0063 0.1765 0.1875
Trichomonas vaginalis esterase, putative 0.0036 0.0888 1
Brugia malayi hypothetical protein 0.0157 0.4838 0.5142
Loa Loa (eye worm) hypothetical protein 0.0157 0.4838 0.4838
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0888 0.0944
Loa Loa (eye worm) RecQ helicase 0.0021 0.0413 0.0413
Brugia malayi beta-lactamase family protein 0.0036 0.0888 0.0944
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0329 0.1832
Loa Loa (eye worm) hypothetical protein 0.0157 0.4838 0.4838
Brugia malayi ecdysteroid receptor 0.001 0.0049 0.0052
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0049 0.0045
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0413 0.0439
Brugia malayi beta-lactamase 0.0036 0.0888 0.0944
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0022 0.043 0.1913
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0049 0.0045
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0022 0.043 0.1526
Loa Loa (eye worm) hypothetical protein 0.001 0.0049 0.0049
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0022 0.043 0.1913
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0049 0.0045
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0049 0.0045
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0049 0.0052
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0888 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0022 0.043 0.1913
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0022 0.043 0.5
Loa Loa (eye worm) hypothetical protein 0.0157 0.4838 0.4838
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0066 0.1861 0.1861
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.0268 0.0277
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0049 0.0052
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0049 0.0045
Loa Loa (eye worm) hypothetical protein 0.0157 0.4838 0.4838
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0022 0.043 0.4837
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.1861 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0049 0.0045
Trypanosoma brucei trypanothione reductase 0.0063 0.1765 0.9457
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0049 0.0049
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0049 0.0045
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0049 0.0052
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0888 0.1238
Brugia malayi beta-lactamase family protein 0.0036 0.0888 0.0944
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0049 0.0052
Loa Loa (eye worm) hypothetical protein 0.0036 0.0888 0.0888
Loa Loa (eye worm) hypothetical protein 0.0157 0.4838 0.4838
Loa Loa (eye worm) animal heme peroxidase 0.0157 0.4838 0.4838
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0233 0.7319 0.7319
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0049 0.0045
Echinococcus granulosus transcription factor Dp 1 0.0038 0.096 0.1013
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0009 0.0007 0.0007
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0007 0.0008
Brugia malayi Animal haem peroxidase family protein 0.0157 0.4838 0.5142
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0049 0.0045
Onchocerca volvulus Chorion peroxidase homolog 0.0157 0.4838 0.5142
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0049 0.0045
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.043 0.1913
Echinococcus granulosus protein cereblon 0.0297 0.9409 1
Loa Loa (eye worm) thioredoxin reductase 0.0063 0.1765 0.1765
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0888 0.4505
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0413 0.4652
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0014 0.0184 0.1005
Loa Loa (eye worm) hypothetical protein 0.0036 0.0888 0.0888
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0049 0.0045
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0022 0.043 0.0599
Trichomonas vaginalis glutathione reductase, putative 0.0022 0.043 0.4837
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0049 0.0052
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0049 0.0045
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0049 0.0052
Mycobacterium tuberculosis Conserved protein 0.0036 0.0888 0.1238
Loa Loa (eye worm) hypothetical protein 0.001 0.0049 0.0049
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0888 0.0937
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0888 0.1238
Loa Loa (eye worm) hypothetical protein 0.001 0.0049 0.0049
Brugia malayi Animal haem peroxidase family protein 0.0157 0.4838 0.5142
Loa Loa (eye worm) animal heme peroxidase 0.0157 0.4838 0.4838
Schistosoma mansoni hypothetical protein 0.0168 0.5212 0.5536
Echinococcus granulosus peroxidasin 0.0157 0.4838 0.5138
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0049 0.0052
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0066 0.1861 0.1971
Loa Loa (eye worm) hypothetical protein 0.0036 0.0888 0.0888
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0022 0.043 0.2404
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0888 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0888 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0888 0.0888
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0066 0.1861 0.1899
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0049 0.0052
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0888 0.0937
Loa Loa (eye worm) hypothetical protein 0.001 0.0049 0.0049
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0888 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0049 0.0045
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0049 0.0045
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0888 0.4505
Schistosoma mansoni hypothetical protein 0.0125 0.3801 0.4035
Loa Loa (eye worm) animal heme peroxidase 0.0157 0.4838 0.4838
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0049 0.0052
Loa Loa (eye worm) hypothetical protein 0.0297 0.9409 0.9409
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0049 0.0049
Onchocerca volvulus Peroxidasin homolog 0.0157 0.4838 0.5142
Loa Loa (eye worm) hypothetical protein 0.0157 0.4838 0.4838
Mycobacterium tuberculosis Conserved protein 0.0036 0.0888 0.1238
Onchocerca volvulus Peroxidase homolog 0.0157 0.4838 0.5142
Schistosoma mansoni nuclear hormone receptor 0.001 0.0049 0.0045
Brugia malayi Peroxidasin 0.0157 0.4838 0.5142
Plasmodium falciparum thioredoxin reductase 0.0022 0.043 0.2404
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0007 0.00000000073963
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0016 0.0242 0.0257
Echinococcus multilocularis thyroid hormone receptor alpha 0.0135 0.4128 0.4383
Onchocerca volvulus 0.0157 0.4838 0.5142
Mycobacterium ulcerans lipase LipD 0.0036 0.0888 1
Leishmania major hypothetical protein, conserved 0.0036 0.0888 0.4505
Loa Loa (eye worm) hypothetical protein 0.0157 0.4838 0.4838
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0022 0.043 0.5
Brugia malayi hypothetical protein 0.0121 0.3666 0.3896
Onchocerca volvulus 0.0036 0.0888 0.0944
Loa Loa (eye worm) hypothetical protein 0.0036 0.0888 0.0888
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0888 0.0937
Onchocerca volvulus Peroxidase homolog 0.0157 0.4838 0.5142
Entamoeba histolytica hypothetical protein, conserved 0.0297 0.9409 1
Toxoplasma gondii thioredoxin reductase 0.0063 0.1765 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0049 0.0052
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0016 0.0242 0.0257
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0066 0.1861 0.1971
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0049 0.0052
Mycobacterium tuberculosis Probable oxidoreductase 0.0022 0.043 0.0599
Loa Loa (eye worm) hypothetical protein 0.001 0.0049 0.0049
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0022 0.043 0.1913
Echinococcus granulosus geminin 0.0168 0.5212 0.5536
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0049 0.0049
Schistosoma mansoni coup transcription factor 0.001 0.0049 0.0045
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0888 1
Brugia malayi hypothetical protein 0.0297 0.9409 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 28 Anti-cataleptic activity of the compound in Rat at oral dose of 3 mg/kg retested at 1 hr after administration ChEMBL. 15978806
Activity (functional) = 47 Anti-cataleptic activity of the compound in Rat at oral dose of 3 mg/kg retested at 4 hr after administration ChEMBL. 15978806
Index (binding) = 338 Selectivity index of Adenosine A2A over A1 in Rat ChEMBL. 15978806
Ki (binding) = 2.2 nM In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat ChEMBL. 15978806
Ki (binding) = 2.2 nM In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat ChEMBL. 15978806

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.