Detailed information for compound 344498

Basic information

Technical information
  • TDR Targets ID: 344498
  • Name: (2R,3R,4R)-2-[4-(4-ethoxyanilino)-5-phenylpyr rolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
  • MW: 432.472 | Formula: C24H24N4O4
  • H donors: 3 H acceptors: 4 LogP: 2.91 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)Nc1ncnc2c1c(cn2[C@@H]1OC[C@H]([C@H]1O)O)c1ccccc1
  • InChi: 1S/C24H24N4O4/c1-2-31-17-10-8-16(9-11-17)27-22-20-18(15-6-4-3-5-7-15)12-28(23(20)26-14-25-22)24-21(30)19(29)13-32-24/h3-12,14,19,21,24,29-30H,2,13H2,1H3,(H,25,26,27)/t19-,21-,24-/m1/s1
  • InChiKey: HHOVCENZVRLWJA-ZILOHOTNSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2R,3R,4R)-2-[4-(4-ethoxyanilino)-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl]tetrahydrofuran-3,4-diol
  • (2R,3R,4R)-2-[4-(4-ethoxyanilino)-5-phenyl-7-pyrrolo[2,3-d]pyrimidinyl]tetrahydrofuran-3,4-diol
  • (2R,3R,4R)-2-[4-[(4-ethoxyphenyl)amino]-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
  • (2R,3R,4R)-2-[5-phenyl-4-(p-phenetidino)pyrrolo[2,3-d]pyrimidin-7-yl]tetrahydrofuran-3,4-diol
  • (2R,3R,4R)-2-[4-[(4-ethoxyphenyl)amino]-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
  • (2R,3R,4R)-2-[4-[(4-ethoxyphenyl)amino]-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl]tetrahydrofuran-3,4-diol
  • (2R,3R,4R)-2-[4-[(4-ethoxyphenyl)amino]-5-phenyl-7-pyrrolo[2,3-d]pyrimidinyl]tetrahydrofuran-3,4-diol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens adenosine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis adenosine kinase Get druggable targets OG5_128398 All targets in OG5_128398
Leishmania mexicana adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Trypanosoma brucei adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Brugia malayi Adenosine kinase-like Get druggable targets OG5_128398 All targets in OG5_128398
Toxoplasma gondii kinase, pfkB family protein Get druggable targets OG5_128398 All targets in OG5_128398
Leishmania major adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Echinococcus multilocularis adenosine kinase Get druggable targets OG5_128398 All targets in OG5_128398
Trypanosoma cruzi adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Schistosoma mansoni adenosine kinase Get druggable targets OG5_128398 All targets in OG5_128398
Schistosoma japonicum ko:K00856 adenosine kinase [EC2.7.1.20], putative Get druggable targets OG5_128398 All targets in OG5_128398
Trypanosoma cruzi adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Leishmania donovani adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Neospora caninum GG10762, related Get druggable targets OG5_128398 All targets in OG5_128398
Echinococcus granulosus adenosine kinase Get druggable targets OG5_128398 All targets in OG5_128398
Schistosoma mansoni adenosine kinase Get druggable targets OG5_128398 All targets in OG5_128398
Cryptosporidium parvum adenosine kinase like ribokinase Get druggable targets OG5_128398 All targets in OG5_128398
Onchocerca volvulus Get druggable targets OG5_128398 All targets in OG5_128398
Candida albicans putative adenosine kinase Get druggable targets OG5_128398 All targets in OG5_128398
Leishmania infantum adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Trypanosoma brucei adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Leishmania braziliensis adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Candida albicans adenosine kinase Get druggable targets OG5_128398 All targets in OG5_128398
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128398 All targets in OG5_128398
Trypanosoma brucei gambiense adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Trypanosoma congolense adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Trypanosoma brucei gambiense adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi adenosine kinase, putative adenosine kinase 345 aa 337 aa 35.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) acetylcholine receptor protein 0.0059 0.0708 0.1163
Loa Loa (eye worm) hypothetical protein 0.0128 0.1666 0.2737
Echinococcus multilocularis microtubule associated protein 2 0.0729 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0029 0.0288 0.0456
Loa Loa (eye worm) hypothetical protein 0.0128 0.1666 0.2737
Loa Loa (eye worm) hypothetical protein 0.0059 0.0708 0.1163
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0151 0.198 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.1188 0.1952
Plasmodium falciparum SUMO-activating enzyme subunit 2 0.0034 0.0352 0.4551
Echinococcus granulosus SUMO activating enzyme subunit 1 0.0051 0.0594 0.0594
Schistosoma mansoni nAChR subunit 0.0128 0.1666 0.1658
Loa Loa (eye worm) hypothetical protein 0.0069 0.0846 0.1389
Loa Loa (eye worm) hypothetical protein 0.0059 0.0708 0.1163
Trichomonas vaginalis CAMK family protein kinase 0.01 0.1278 0.2
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0128 0.1666 0.2725
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0019 0.015 0.0158
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0128 0.1666 0.1666
Loa Loa (eye worm) steroid hormone receptor 0.0009 0.001 0.0017
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0059 0.0708 0.0708
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0029 0.0288 0.0288
Echinococcus granulosus ecdysone induced protein 78C 0.0009 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0091 0.1153 0.1894
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0447 0.6088 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0059 0.0708 0.0708
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0056 0.066 0.0651
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0128 0.1666 0.2725
Loa Loa (eye worm) hypothetical protein 0.0029 0.0288 0.0472
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0019 0.015 0.0503
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.01 0.1278 0.21
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0128 0.1666 0.1666
Onchocerca volvulus 0.0128 0.1666 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0128 0.1666 0.1666
Giardia lamblia Kinase, PLK 0.01 0.1278 0.2975
Schistosoma mansoni serine/threonine protein kinase 0.01 0.1278 0.1269
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0816 0.134
Trypanosoma brucei ubiquitin-activating enzyme E1, putative 0.0034 0.0352 0.2313
Schistosoma mansoni neurotransmitter gated ion channel 0.0059 0.0708 0.0698
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0029 0.0287 0.181
Brugia malayi hypothetical protein 0.0059 0.0708 0.1148
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0009 0.001 0.001
Onchocerca volvulus Serine\/threonine kinase homolog 0.01 0.1278 0.7657
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0019 0.015 0.0158
Schistosoma mansoni acetylcholine receptor subunit beta 0.0059 0.0708 0.0698
Loa Loa (eye worm) ACC-1 protein 0.0128 0.1666 0.2737
Brugia malayi Cation transporter family protein 0.0128 0.1666 0.2725
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0059 0.0708 0.0708
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0151 0.198 0.3145
Loa Loa (eye worm) hypothetical protein 0.0059 0.0708 0.1163
Trichomonas vaginalis CAMK family protein kinase 0.005 0.0579 0.0859
Echinococcus multilocularis GPCR, family 2 0.0029 0.0288 0.0288
Leishmania major adenosine kinase, putative 0.0105 0.1345 0.2109
Echinococcus granulosus dual specificity 0.0095 0.12 0.12
Brugia malayi Protein kinase domain containing protein 0.0095 0.12 0.1957
Loa Loa (eye worm) hypothetical protein 0.0069 0.0846 0.1389
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0069 0.0846 0.1375
Brugia malayi hypothetical protein 0.0012 0.0053 0.0071
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0009 0.001 0.001
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0816 0.0806
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0128 0.1666 0.2737
Loa Loa (eye worm) hypothetical protein 0.0094 0.1188 0.1952
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0128 0.1666 0.1666
Loa Loa (eye worm) hypothetical protein 0.0128 0.1666 0.2737
Mycobacterium ulcerans hypothetical protein 0.0133 0.1737 0.275
Schistosoma mansoni hypothetical protein 0.0029 0.0288 0.0278
Entamoeba histolytica protein kinase, putative 0.0095 0.12 0.2784
Trichomonas vaginalis CAMK family protein kinase 0.01 0.1278 0.2
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0082 0.1025 0.1015
Onchocerca volvulus Putative pyridoxal kinase 0.0012 0.0053 0.026
Entamoeba histolytica hypothetical protein 0.0095 0.12 0.2784
Loa Loa (eye worm) hypothetical protein 0.0009 0.001 0.0017
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0128 0.1666 0.1666
Loa Loa (eye worm) hypothetical protein 0.0128 0.1666 0.2737
Brugia malayi Adenosine kinase-like 0.0105 0.1345 0.2196
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0816 0.0806
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0019 0.015 0.075
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0009 0.001 0.0017
Brugia malayi hypothetical protein 0.0059 0.0708 0.1148
Echinococcus multilocularis pseudouridine metabolizing bifunctional protein 0.0012 0.0053 0.0053
Trichomonas vaginalis 2-nitropropane dioxygenase precursor, putative 0.0454 0.6178 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0454 0.6178 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.001 0.0017
Trypanosoma cruzi polo-like protein kinase, putative 0.01 0.1278 0.9484
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0128 0.1666 0.1658
Brugia malayi TAR-binding protein 0.0067 0.0816 0.1325
Brugia malayi Cation transporter family protein 0.0128 0.1666 0.2725
Onchocerca volvulus 0.0128 0.1666 1
Plasmodium vivax ubiquitin activating enzyme, putative 0.0051 0.0594 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0059 0.0708 0.1148
Giardia lamblia Ubiquitin-activating enzyme E1 1 0.0016 0.0108 0.0132
Brugia malayi CXXC zinc finger family protein 0.0026 0.0252 0.0397
Toxoplasma gondii ThiF family protein 0.0034 0.0352 0.2313
Loa Loa (eye worm) hypothetical protein 0.0128 0.1666 0.2737
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0009 0.001 0.001
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0128 0.1666 0.2737
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0816 0.0816
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0059 0.0708 0.1148
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0133 0.1737 0.275
Echinococcus granulosus glycine receptor subunit alpha 1 0.0128 0.1666 0.1666
Schistosoma mansoni hypothetical protein 0.0029 0.0288 0.0278
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.417 0.6722
Loa Loa (eye worm) hypothetical protein 0.0059 0.0708 0.1163
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0059 0.0708 0.0708
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0151 0.198 0.3145
Loa Loa (eye worm) CXXC zinc finger family protein 0.0026 0.0252 0.0414
Loa Loa (eye worm) ThiF family protein 0.0034 0.0352 0.0578
Schistosoma mansoni nAChR subunit 0.0128 0.1666 0.1658
Entamoeba histolytica protein kinase domain containing protein 0.0095 0.12 0.2784
Onchocerca volvulus 0.0069 0.0846 0.5045
Schistosoma mansoni adenosine kinase 0.0105 0.1345 0.1336
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0128 0.1666 0.1666
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0128 0.1666 0.2737
Onchocerca volvulus 0.0128 0.1666 1
Schistosoma mansoni cpg binding protein 0.0026 0.0252 0.0242
Brugia malayi excitatory GABA receptor EXP-1A 0.0128 0.1666 0.2725
Schistosoma mansoni acetylcholine receptor-related 0.0059 0.0708 0.0698
Schistosoma mansoni ubiquitin-activating enzyme E1b 0.0034 0.0352 0.0342
Loa Loa (eye worm) hypothetical protein 0.0059 0.0708 0.1163
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0128 0.1666 0.2725
Trypanosoma cruzi adenosine kinase, putative 0.0105 0.1345 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0009 0.001 0.001
Toxoplasma gondii kinase, pfkB family protein 0.0105 0.1345 1
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0059 0.0708 0.1163
Brugia malayi ThiF family protein 0.0034 0.0352 0.0562
Loa Loa (eye worm) hypothetical protein 0.0059 0.0708 0.1163
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0069 0.0846 0.1375
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0082 0.1025 0.1015
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0128 0.1666 0.1666
Trypanosoma cruzi adenosine kinase, putative 0.0105 0.1345 1
Schistosoma mansoni nAChR subunit 0.0128 0.1666 0.1658
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0128 0.1666 0.2725
Mycobacterium tuberculosis Conserved hypothetical protein 0.0168 0.2217 0.3533
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0019 0.015 0.5
Trichomonas vaginalis CAMK family protein kinase 0.01 0.1278 0.2
Loa Loa (eye worm) hypothetical protein 0.0128 0.1666 0.2737
Brugia malayi latrophilin 2 splice variant baaae 0.0062 0.0752 0.1221
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0128 0.1666 0.1666
Leishmania major ubiquitin-activating enzyme-like protein 0.0034 0.0352 0.0488
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0133 0.1737 0.275
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0059 0.0708 0.1148
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0059 0.0708 0.1148
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0082 0.1025 0.1025
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0128 0.1666 0.1658
Trichomonas vaginalis CAMK family protein kinase 0.01 0.1278 0.2
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0095 0.12 0.1872
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0059 0.0708 0.1148
Onchocerca volvulus 0.0059 0.0708 0.4213
Schistosoma mansoni neurotransmitter gated ion channel 0.0059 0.0708 0.0698
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0009 0.001 0.001
Echinococcus multilocularis cpg binding protein 0.0028 0.0273 0.0273
Onchocerca volvulus 0.0128 0.1666 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.1345 0.2209
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0009 0.001 0.0017
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0091 0.1153 0.1894
Echinococcus multilocularis nAChR subunit 0.0069 0.0846 0.0846
Echinococcus multilocularis glycine receptor subunit beta 0.0128 0.1666 0.1666
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0091 0.1153 0.188
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0128 0.1666 0.2725
Loa Loa (eye worm) ACC-1 protein 0.0128 0.1666 0.2737
Loa Loa (eye worm) hypothetical protein 0.0009 0.001 0.0017
Loa Loa (eye worm) hypothetical protein 0.0009 0.001 0.0017
Echinococcus granulosus serine:threonine protein kinase PLK1 0.01 0.1278 0.1278
Loa Loa (eye worm) hypothetical protein 0.0059 0.0708 0.1163
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0128 0.1666 0.1666
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0816 0.134
Toxoplasma gondii hypothetical protein 0.0051 0.0594 0.4184
Treponema pallidum fructose-bisphosphate aldolase 0.0309 0.417 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0082 0.1025 0.1025
Echinococcus granulosus pseudouridine metabolizing bifunctional protein 0.0012 0.0053 0.0053
Onchocerca volvulus 0.0012 0.0053 0.026
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0128 0.1666 0.1666
Loa Loa (eye worm) LGC-31 protein 0.0128 0.1666 0.2737
Giardia lamblia Fructose-bisphosphate aldolase 0.0309 0.417 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0128 0.1666 0.1666
Onchocerca volvulus 0.0128 0.1666 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0029 0.0288 0.0288
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.01 0.1278 0.1278
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0128 0.1666 0.1666
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0095 0.12 0.8875
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0046 0.0529 0.0519
Loa Loa (eye worm) hypothetical protein 0.0009 0.001 0.0017
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0019 0.015 0.0158
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0128 0.1666 0.2725
Loa Loa (eye worm) hypothetical protein 0.0009 0.001 0.0017
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0069 0.0846 0.1375
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0009 0.001 0.0017
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0128 0.1666 0.2737
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0128 0.1666 0.1666
Echinococcus granulosus nAChR subunit 0.0069 0.0846 0.0846
Loa Loa (eye worm) hypothetical protein 0.0128 0.1666 0.2737
Loa Loa (eye worm) hypothetical protein 0.0012 0.0053 0.0088
Loa Loa (eye worm) hypothetical protein 0.0128 0.1666 0.2737
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0069 0.0846 0.0836
Echinococcus granulosus ornithine aminotransferase 0.0019 0.015 0.015
Trichomonas vaginalis CAMK family protein kinase 0.01 0.1278 0.2
Loa Loa (eye worm) hypothetical protein 0.0128 0.1666 0.2737
Mycobacterium ulcerans hypothetical protein 0.0454 0.6178 1
Brugia malayi hypothetical protein 0.0059 0.0708 0.1148
Loa Loa (eye worm) hypothetical protein 0.0062 0.0752 0.1236
Loa Loa (eye worm) hypothetical protein 0.0069 0.0846 0.1389
Trypanosoma brucei adenosine kinase, putative 0.0105 0.1345 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0082 0.1025 0.1015
Schistosoma mansoni nAChR subunit 0.0128 0.1666 0.1658
Mycobacterium ulcerans hypothetical protein 0.0168 0.2217 0.3533
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0082 0.1025 0.1683
Toxoplasma gondii histone lysine methyltransferase SET1 0.005 0.0578 0.4061
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0009 0.001 0.001
Echinococcus granulosus nAChR subunit 0.0128 0.1666 0.1666
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0059 0.0708 0.1163
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0019 0.015 0.0158
Loa Loa (eye worm) hypothetical protein 0.0059 0.0708 0.1163
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0059 0.0708 0.1163
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.417 0.6722
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0019 0.015 0.0158
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0128 0.1666 0.2725
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0019 0.015 0.0158
Loa Loa (eye worm) hypothetical protein 0.0128 0.1666 0.2737
Echinococcus granulosus glycine receptor subunit alpha 1 0.0128 0.1666 0.1666
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0019 0.015 0.0158
Echinococcus multilocularis ecdysone induced protein 78C 0.0009 0.001 0.001
Onchocerca volvulus Ribokinase homolog 0.0012 0.0053 0.026
Trichomonas vaginalis CAMK family protein kinase 0.01 0.1278 0.2
Loa Loa (eye worm) hypothetical protein 0.0128 0.1666 0.2737
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0816 0.0806
Onchocerca volvulus 0.0093 0.1179 0.7056
Echinococcus multilocularis SUMO activating enzyme subunit 1 0.0051 0.0594 0.0594
Brugia malayi Cation transporter family protein 0.0128 0.1666 0.2725
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.417 0.6722
Onchocerca volvulus 0.0059 0.0708 0.4213
Loa Loa (eye worm) hypothetical protein 0.0059 0.0708 0.1163
Brugia malayi Latrophilin receptor protein 2 0.0029 0.0288 0.0456
Mycobacterium ulcerans hypothetical protein 0.0168 0.2217 0.3533
Mycobacterium tuberculosis Possible alanine rich oxidoreductase 0.0454 0.6178 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0009 0.001 0.0017
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.417 0.6722
Schistosoma mansoni neurotransmitter gated ion channel 0.0069 0.0846 0.0836
Onchocerca volvulus 0.0128 0.1666 1
Echinococcus multilocularis dual specificity 0.0095 0.12 0.12
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0029 0.0288 0.0288
Trypanosoma cruzi ubiquitin-activating enzyme-like protein 0.0016 0.0108 0.042
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0019 0.015 0.0503
Loa Loa (eye worm) hypothetical protein 0.0059 0.0708 0.1163
Onchocerca volvulus 0.0026 0.0252 0.1459
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0019 0.015 0.0158
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0133 0.1737 0.8743
Echinococcus granulosus Aminotransferase class III 0.0019 0.015 0.015
Echinococcus granulosus sumo-activating enzyme subunit 2 0.0034 0.0352 0.0352
Plasmodium falciparum SUMO-activating enzyme subunit 1 0.0051 0.0594 1
Schistosoma mansoni nAChR subunit 0.0059 0.0708 0.0698
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0069 0.0846 0.0836
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.001 0.001
Wolbachia endosymbiont of Brugia malayi trans-2-enoyl-ACP reductase, FabK 0.0454 0.6178 1
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0019 0.015 0.0503
Mycobacterium tuberculosis Conserved protein 0.0168 0.2217 0.3533
Trichomonas vaginalis CAMK family protein kinase 0.01 0.1278 0.2
Loa Loa (eye worm) hypothetical protein 0.0069 0.0846 0.1389
Brugia malayi serine/threonine-protein kinase plk-2 0.01 0.1278 0.2086
Schistosoma mansoni nAChR subunit 0.0128 0.1666 0.1658
Echinococcus granulosus glycine receptor subunit beta 0.0128 0.1666 0.1666
Schistosoma mansoni hypothetical protein 0.0374 0.5079 0.5074
Loa Loa (eye worm) hypothetical protein 0.0128 0.1666 0.2737
Loa Loa (eye worm) latrophilin receptor protein 2 0.0029 0.0288 0.0472
Mycobacterium tuberculosis Conserved hypothetical protein 0.0168 0.2217 0.3533
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0059 0.0708 0.0708
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.417 0.6722
Schistosoma mansoni microtubule-associated protein tau 0.0729 1 1
Entamoeba histolytica ubiquitin-activating enzyme, putative 0.0016 0.0108 0.0132
Loa Loa (eye worm) hypothetical protein 0.0128 0.1666 0.2737
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.001 0.001
Mycobacterium ulcerans L-lysine aminotransferase 0.0019 0.015 0.0158
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0128 0.1666 0.1658
Echinococcus granulosus glycine receptor subunit alpha 1 0.0128 0.1666 0.1666
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0128 0.1666 0.2737
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0029 0.0288 0.0288
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0009 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0059 0.0708 0.1163
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0128 0.1666 0.2737
Brugia malayi ThiF family protein 0.0051 0.0594 0.096
Entamoeba histolytica protein kinase, putative 0.0095 0.12 0.2784
Entamoeba histolytica serine/threonine protein kinase, putative 0.01 0.1278 0.2975
Loa Loa (eye worm) hypothetical protein 0.0128 0.1666 0.2737
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0128 0.1666 0.1666
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0128 0.1666 0.1666
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0082 0.1025 0.1669
Schistosoma mansoni cpg binding protein 0.0028 0.0273 0.0263
Echinococcus multilocularis dnaJ subfamily B 0.0374 0.5079 0.5079
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0128 0.1666 0.2725
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.01 0.1278 0.2
Loa Loa (eye worm) hypothetical protein 0.0059 0.0708 0.1163
Mycobacterium ulcerans 2-nitropropane dioxygenase 0.0454 0.6178 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0708 0.1163
Loa Loa (eye worm) hypothetical protein 0.0128 0.1666 0.2737
Echinococcus multilocularis FTZ F1 alpha 0.0009 0.001 0.001
Echinococcus multilocularis adenosine kinase 0.0105 0.1345 0.1345
Echinococcus granulosus GPCR family 2 0.0029 0.0288 0.0288
Loa Loa (eye worm) hypothetical protein 0.0059 0.0708 0.1163
Echinococcus granulosus adenosine kinase 0.0105 0.1345 0.1345
Echinococcus multilocularis ornithine aminotransferase 0.0019 0.015 0.015
Loa Loa (eye worm) hypothetical protein 0.0069 0.0846 0.1389
Schistosoma mansoni hypothetical protein 0.0029 0.0288 0.0278
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.417 0.6722
Schistosoma mansoni nAChR subunit 0.0059 0.0708 0.0698
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0128 0.1666 0.2725
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0009 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0069 0.0846 0.1389
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0019 0.015 0.014
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0009 0.001 0.0017
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0128 0.1666 0.1666
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0128 0.1666 0.2725
Loa Loa (eye worm) GABA receptor subunit 0.0069 0.0846 0.1389
Plasmodium vivax SUMO-activating enzyme subunit 2, putative 0.0034 0.0352 0.4551
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.417 0.6722
Entamoeba histolytica hypothetical protein 0.0069 0.0846 0.1924
Echinococcus multilocularis Aminotransferase class III 0.0019 0.015 0.015
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0034 0.0352 0.2313
Wolbachia endosymbiont of Brugia malayi 2-nitropropane dioxygenase 0.0168 0.2217 0.3429
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0059 0.0708 0.1148
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0309 0.417 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.001 0.001
Echinococcus multilocularis glycine receptor subunit beta 0.0128 0.1666 0.1666
Schistosoma mansoni nAChR subunit 0.0128 0.1666 0.1658
Onchocerca volvulus 0.0069 0.0846 0.5045
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0128 0.1666 0.2725
Loa Loa (eye worm) hypothetical protein 0.0388 0.5267 0.8652
Echinococcus granulosus FTZ F1 alpha 0.0009 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0009 0.001 0.0017
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0082 0.1025 0.1025
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0095 0.12 0.8875
Loa Loa (eye worm) hypothetical protein 0.0012 0.0053 0.0088
Loa Loa (eye worm) hypothetical protein 0.0069 0.0846 0.1389
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0128 0.1666 0.2725
Schistosoma mansoni adenosine kinase 0.0105 0.1345 0.1336
Onchocerca volvulus Putative nachr subunit 0.0128 0.1666 1
Trichomonas vaginalis CAMK family protein kinase 0.005 0.0579 0.0859
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0128 0.1666 0.1666
Loa Loa (eye worm) hypothetical protein 0.0128 0.1666 0.2737
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0816 0.1325
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0128 0.1666 0.2725
Echinococcus multilocularis ornithine aminotransferase 0.0019 0.015 0.015
Schistosoma mansoni ribokinase 0.0012 0.0053 0.0043
Loa Loa (eye worm) hypothetical protein 0.0009 0.001 0.0017
Loa Loa (eye worm) hypothetical protein 0.0069 0.0846 0.1389
Echinococcus multilocularis SUMO activating enzyme subunit 2 0.0034 0.0352 0.0352
Brugia malayi Calcitonin receptor-like protein seb-1 0.0091 0.1153 0.188
Echinococcus multilocularis nAChR subunit 0.0128 0.1666 0.1666
Schistosoma mansoni hypothetical protein 0.0029 0.0288 0.0278
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0095 0.12 0.197
Echinococcus granulosus glycine receptor subunit beta 0.0128 0.1666 0.1666
Onchocerca volvulus 0.0059 0.0708 0.4213
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0309 0.417 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0128 0.1666 0.1658
Mycobacterium tuberculosis Probable aminotransferase 0.0133 0.1737 0.275
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0009 0.001 0.0017
Echinococcus multilocularis thyroid hormone receptor alpha 0.0009 0.001 0.001
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0128 0.1666 0.2725
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0128 0.1666 0.2725
Mycobacterium ulcerans acetylornithine aminotransferase 0.0019 0.015 0.0158
Leishmania major enoyl-[acyl-carrier-protein] reductase, putative 0.0454 0.6178 1
Loa Loa (eye worm) RNA binding protein 0.0067 0.0816 0.134
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0051 0.0594 0.0584
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0009 0.001 0.0017
Echinococcus granulosus dnaJ subfamily B 0.0374 0.5079 0.5079
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0128 0.1666 0.1658
Loa Loa (eye worm) hypothetical protein 0.0447 0.6088 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0128 0.1666 0.1658
Schistosoma mansoni kinase 0.0051 0.0597 0.0588
Trypanosoma brucei adenosine kinase, putative 0.0105 0.1345 1
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0128 0.1666 0.1666
Brugia malayi hypothetical protein 0.0059 0.0708 0.1148
Loa Loa (eye worm) hypothetical protein 0.0128 0.1666 0.2737
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0816 0.0806
Brugia malayi Ribokinase 0.0012 0.0053 0.0071
Echinococcus granulosus cpg binding protein 0.0028 0.0273 0.0273
Brugia malayi RNA binding protein 0.0067 0.0816 0.1325
Echinococcus granulosus ribokinase 0.0012 0.0053 0.0053
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0095 0.12 0.8875
Trypanosoma brucei polo-like protein kinase 0.01 0.1278 0.9484
Trypanosoma cruzi polo-like protein kinase, putative 0.01 0.1278 0.9484
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0082 0.1025 0.1025
Loa Loa (eye worm) hypothetical protein 0.0128 0.1666 0.2737
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.12 0.1191
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0133 0.1737 0.275
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0019 0.015 0.023
Echinococcus granulosus tar DNA binding protein 0.0067 0.0816 0.0816
Trichomonas vaginalis molybdopterin biosynthesis moeb protein, putative 0.0016 0.0108 0.0089
Schistosoma mansoni hypothetical protein 0.0062 0.0752 0.0743
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0816 0.0806
Schistosoma mansoni cpg binding protein 0.0028 0.0273 0.0263
Brugia malayi hypothetical protein 0.0059 0.0708 0.1148
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0009 0.001 0.001
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0069 0.0846 0.1375
Echinococcus multilocularis ribokinase 0.0012 0.0053 0.0053
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.417 0.6722
Schistosoma mansoni nAChR subunit 0.0128 0.1666 0.1658
Loa Loa (eye worm) hypothetical protein 0.0051 0.0594 0.0975

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3 nM Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand ChEMBL. 16190769
IC50 (binding) = 3 nM Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand ChEMBL. 16190769
Inhibition (functional) = 41 % Percent inhibition of the licking and biting behavior in response to formalin injection at a dose of 20 mg/Kg when given orally in rat by formalin paw assay; (n=6) ChEMBL. 16190769

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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