Detailed information for compound 90396

Basic information

Technical information
  • TDR Targets ID: 90396
  • Name: (2R,3R,4S,5R)-2-[6-[(2-chloro-6-fluorophenyl) methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)o xolane-3,4-diol
  • MW: 426.85 | Formula: C17H16ClFN4O4S
  • H donors: 3 H acceptors: 6 LogP: 1.51 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2SCc1c(F)cccc1Cl
  • InChi: 1S/C17H16ClFN4O4S/c18-9-2-1-3-10(19)8(9)5-28-16-12-15(20-6-21-16)23(7-22-12)17-14(26)13(25)11(4-24)27-17/h1-3,6-7,11,13-14,17,24-26H,4-5H2/t11-,13-,14-,17-/m1/s1
  • InChiKey: AFCSRSLSUATDRN-LSCFUAHRSA-N  

Network

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Synonyms

  • (2R,3R,4S,5R)-2-[6-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2R,3R,4S,5R)-2-[6-[(2-chloro-6-fluorophenyl)methylthio]-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2R,3R,4S,5R)-2-[6-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  • (2R,3R,4S,5R)-2-[6-[(2-chloro-6-fluoro-benzyl)thio]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • AIDS210783
  • 9H-Purine, 6-[[(2-chloro-6-fluorophenyl)methyl]thio]-9-beta-D-ribofuranosyl-
  • AIDS-210783

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens solute carrier family 29 (equilibrative nucleoside transporter), member 1 Starlite/ChEMBL References
Toxoplasma gondii kinase, pfkB family protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Adenosine kinase-like Get druggable targets OG5_128398 All targets in OG5_128398
Schistosoma japonicum Equilibrative nucleoside transporter 3, putative Get druggable targets OG5_127378 All targets in OG5_127378
Candida albicans putative adenosine kinase 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
Brugia malayi hypothetical protein Get druggable targets OG5_127378 All targets in OG5_127378
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127378 All targets in OG5_127378
Neospora caninum GG10762, related 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
Echinococcus multilocularis equilibrative nucleoside transporter 3 Get druggable targets OG5_127378 All targets in OG5_127378
Trypanosoma congolense adenosine kinase, putative 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
Giardia lamblia Hypothetical protein Get druggable targets OG5_127378 All targets in OG5_127378
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127378 All targets in OG5_127378
Trichomonas vaginalis equilibrative nucleoside transporter, putative Get druggable targets OG5_127378 All targets in OG5_127378
Echinococcus granulosus equilibrative nucleoside transporter Get druggable targets OG5_127378 All targets in OG5_127378
Brugia malayi Nucleoside transporter family protein Get druggable targets OG5_127378 All targets in OG5_127378
Trichomonas vaginalis equilibrative nucleoside transporter, putative Get druggable targets OG5_127378 All targets in OG5_127378
Trypanosoma brucei gambiense adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Echinococcus granulosus adenosine kinase Get druggable targets OG5_128398 All targets in OG5_128398
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127378 All targets in OG5_127378
Echinococcus granulosus equilibrative nucleoside transporter 3 Get druggable targets OG5_127378 All targets in OG5_127378
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog Get druggable targets OG5_127378 All targets in OG5_127378
Leishmania mexicana adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog Get druggable targets OG5_127378 All targets in OG5_127378
Echinococcus multilocularis equilibrative nucleoside transporter protein Get druggable targets OG5_127378 All targets in OG5_127378
Leishmania major adenosine kinase, 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
Candida albicans adenosine kinase Get druggable targets OG5_128398 All targets in OG5_128398
Onchocerca volvulus 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
Entamoeba histolytica nucleoside transporter, putative Get druggable targets OG5_127378 All targets in OG5_127378
Echinococcus multilocularis adenosine kinase Get druggable targets OG5_128398 All targets in OG5_128398
Candida albicans possible nucleoside transporter Get druggable targets OG5_127378 All targets in OG5_127378
Candida albicans possible nucleoside transporter Get druggable targets OG5_127378 All targets in OG5_127378
Trypanosoma brucei 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
Toxoplasma gondii kinase, pfkB family protein Get druggable targets OG5_128398 All targets in OG5_128398
Echinococcus multilocularis equilibrative nucleoside transporter 3 Get druggable targets OG5_127378 All targets in OG5_127378
Trichomonas vaginalis equilibrative nucleoside transporter, putative Get druggable targets OG5_127378 All targets in OG5_127378
Schistosoma mansoni adenosine kinase Get druggable targets OG5_128398 All targets in OG5_128398
Babesia bovis 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
Trypanosoma cruzi 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
Trichomonas vaginalis equilibrative nucleoside transporter, putative Get druggable targets OG5_127378 All targets in OG5_127378
Schistosoma mansoni adenosine kinase 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 brucei purine nucleoside transporter solute carrier family 29 (equilibrative nucleoside transporter), member 1 456 aa 396 aa 24.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0067 0.0369 0.0828
Brugia malayi Carboxylesterase family protein 0.0067 0.0369 0.0828
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0137 0.1809
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.0738 0.1709
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.013 0.0827
Leishmania major adenosine kinase, putative 0.0105 0.0658 1
Onchocerca volvulus 0.0093 0.0567 0.1605
Schistosoma mansoni adenosine kinase 0.0105 0.0658 0.1517
Mycobacterium tuberculosis Putative ferredoxin reductase 0.011 0.0694 0.4405
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0021 0.0022 0.0141
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog 0.0098 0.0606 0.172
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0129 0.0113
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.013 0.0827
Loa Loa (eye worm) inositol-1 0.0036 0.0137 0.0274
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.1065 0.1045
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.1575 1
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0021 0.0022 0.0141
Echinococcus granulosus equilibrative nucleoside transporter 0.0098 0.0606 0.0585
Schistosoma mansoni survival motor neuron protein 0.0047 0.0221 0.0475
Loa Loa (eye worm) glutathione reductase 0.0048 0.0227 0.0488
Echinococcus granulosus tar DNA binding protein 0.0575 0.4212 0.4199
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.013 0.0827
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0245 0.0237
Giardia lamblia Fructose-bisphosphate aldolase 0.0288 0.2039 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0237 0.0215
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0129 0.168
Loa Loa (eye worm) hypothetical protein 0.0067 0.0369 0.0828
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0059 0.031 0.0288
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0122 0.0787 0.8465
Loa Loa (eye worm) hypothetical protein 0.028 0.1984 0.4683
Echinococcus multilocularis equilibrative nucleoside transporter protein 0.0098 0.0606 0.0585
Brugia malayi hypothetical protein 0.0067 0.0369 0.0828
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0067 0.0369 0.0348
Trypanosoma brucei adenosine kinase, putative 0.0105 0.0658 1
Schistosoma mansoni eyes absent homolog 0.0095 0.0584 0.1341
Onchocerca volvulus 0.0196 0.1346 0.3901
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.031 0.0687
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.014 0.0926 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0137 0.0122
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2039 0.2142
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.013 0.17
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.011 0.0694 0.4405
Mycobacterium ulcerans hypothetical protein 0.0072 0.0408 0.4267
Loa Loa (eye worm) hypothetical protein 0.0098 0.0606 0.1393
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0022 0.0141
Onchocerca volvulus 0.0092 0.0558 0.1578
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.013 0.0827
Plasmodium vivax acyl-CoA synthetase, putative 0.0054 0.027 0.8603
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0054 0.027 0.5
Loa Loa (eye worm) hypothetical protein 0.0105 0.0658 0.1517
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0247 0.1571
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0227 0.0205
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0137 0.0122
Entamoeba histolytica acyl-CoA synthetase, putative 0.0072 0.0408 0.1911
Toxoplasma gondii thioredoxin reductase 0.0048 0.0227 0.3219
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0237 0.0512
Mycobacterium tuberculosis Conserved protein 0.0035 0.013 0.0827
Toxoplasma gondii t-complex protein beta subunit 0.0024 0.0041 0.0292
Echinococcus granulosus equilibrative nucleoside transporter 3 0.0098 0.0606 0.0585
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.0636 0.1465
Loa Loa (eye worm) hypothetical protein 0.0067 0.0369 0.0828
Plasmodium falciparum T-complex protein 1 subunit beta 0.0024 0.0041 0.0749
Echinococcus granulosus para nitrobenzyl esterase 0.0067 0.0369 0.0348
Onchocerca volvulus 0.0067 0.0369 0.1022
Schistosoma mansoni hypothetical protein 0.013 0.0844 0.1962
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0288 0.2039 1
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0227 0.0488
Loa Loa (eye worm) hypothetical protein 0.0054 0.027 0.0591
Echinococcus multilocularis neuroligin 0.0067 0.0369 0.0348
Brugia malayi glutathione reductase 0.0048 0.0227 0.0488
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0072 0.0408 0.4267
Loa Loa (eye worm) carboxylesterase 0.0067 0.0369 0.0828
Schistosoma mansoni inositol monophosphatase 0.0036 0.0137 0.0274
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0098 0.0606 0.062
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0024 0.0041 0.002
Loa Loa (eye worm) hypothetical protein 0.0035 0.013 0.0258
Mycobacterium leprae conserved hypothetical protein 0.0035 0.013 0.1196
Echinococcus multilocularis equilibrative nucleoside transporter 3 0.0098 0.0606 0.0585
Brugia malayi hypothetical protein 0.0233 0.1623 0.3822
Brugia malayi AMP-binding enzyme family protein 0.0072 0.0408 0.092
Loa Loa (eye worm) hypothetical protein 0.0067 0.0369 0.0828
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.013 0.1196
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0129 0.0113
Echinococcus multilocularis acetylcholinesterase 0.0067 0.0369 0.0348
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0024 0.0041 0.0292
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0021 0.0022 0.0141
Schistosoma mansoni kinase 0.0052 0.0256 0.0557
Brugia malayi AMP-binding enzyme family protein 0.0072 0.0408 0.092
Schistosoma mansoni alpha-glucosidase 0.0137 0.0897 0.2089
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0067 0.0369 0.2343
Giardia lamblia Kinase, PLK 0.0102 0.0636 0.298
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0024 0.0041 0.0645
Brugia malayi Glycosyl hydrolases family 31 protein 0.0159 0.1065 0.2489
Schistosoma mansoni gliotactin 0.0067 0.0369 0.0828
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0129 0.168
Plasmodium vivax hypothetical protein, conserved 0.0035 0.013 0.3754
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0636 0.0652
Loa Loa (eye worm) hypothetical protein 0.0098 0.0606 0.1393
Schistosoma mansoni hypothetical protein 0.013 0.0844 0.1962
Onchocerca volvulus 0.0469 0.3416 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0137 0.1809
Schistosoma mansoni hypothetical protein 0.0362 0.2602 0.6158
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0024 0.0041 0.0092
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0122 0.0787 0.4995
Loa Loa (eye worm) T-complex protein 1 0.0024 0.0041 0.0044
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0227 0.0205
Onchocerca volvulus 0.0035 0.013 0.0318
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0247 0.1571
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2039 0.2142
Loa Loa (eye worm) hypothetical protein 0.0067 0.0369 0.0828
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0137 0.0115
Plasmodium vivax glutathione reductase, putative 0.0048 0.0227 0.711
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.0738 0.1709
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.013 0.0258
Echinococcus multilocularis tumor protein p63 0.1339 1 1
Echinococcus multilocularis GPCR, family 2 0.013 0.0844 0.0824
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0054 0.027 0.1712
Mycobacterium ulcerans acyl-CoA synthetase 0.0072 0.0408 0.4267
Trypanosoma cruzi adenosine kinase, putative 0.0105 0.0658 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.013 0.0827
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0137 0.1809
Echinococcus granulosus survival motor neuron protein 1 0.0233 0.1623 0.1605
Echinococcus granulosus acetylcholinesterase 0.0067 0.0369 0.0348
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0137 0.1272
Plasmodium falciparum acyl-CoA synthetase 0.0054 0.027 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0067 0.0369 0.0828
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0072 0.0408 0.4267
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0021 0.0022 0.0141
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0129 0.168
Loa Loa (eye worm) hypothetical protein 0.0054 0.027 0.0591
Loa Loa (eye worm) RNA binding protein 0.0575 0.4212 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0227 0.144
Trypanosoma brucei trypanothione reductase 0.0048 0.0227 0.3219
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0636 0.0652
Echinococcus granulosus acetylcholinesterase 0.0067 0.0369 0.0348
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog 0.0098 0.0606 0.172
Entamoeba histolytica nucleoside transporter, putative 0.0098 0.0606 0.2894
Entamoeba histolytica acyl-CoA synthetase, putative 0.0072 0.0408 0.1911
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.013 0.17
Loa Loa (eye worm) hypothetical protein 0.0035 0.013 0.0258
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0072 0.0408 0.4267
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0102 0.0636 0.9662
Brugia malayi hypothetical protein 0.0095 0.0584 0.1341
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0072 0.0408 0.4267
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0137 0.1809
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.013 0.0827
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0067 0.0369 0.0828
Trichomonas vaginalis esterase, putative 0.0035 0.013 0.0115
Onchocerca volvulus 0.0067 0.0369 0.1022
Loa Loa (eye worm) hypothetical protein 0.0067 0.0369 0.0828
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0129 0.0113
Leishmania major 4-coumarate:coa ligase-like protein 0.0072 0.0408 0.6065
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0237 0.0512
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2039 0.2142
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0237 0.0215
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0237 0.0512
Brugia malayi latrophilin 2 splice variant baaae 0.028 0.1984 0.4683
Brugia malayi Adenosine kinase-like 0.0105 0.0658 0.1517
Schistosoma mansoni acetylcholinesterase 0.0067 0.0369 0.0828
Echinococcus granulosus GPCR family 2 0.013 0.0844 0.0824
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0072 0.0408 0.2588
Trichomonas vaginalis conserved hypothetical protein 0.1265 0.9439 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0408 0.092
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0108 0.0953
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0059 0.031 0.0687
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0159 0.1065 0.2489
Entamoeba histolytica serine/threonine protein kinase, putative 0.0102 0.0636 0.3044
Loa Loa (eye worm) hypothetical protein 0.0035 0.013 0.0258
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0237 0.0215
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0108 0.0688
Toxoplasma gondii ABC1 family protein 0.0035 0.013 0.17
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0892 0.6613 0.6605
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0098 0.0606 0.062
Loa Loa (eye worm) hypothetical protein 0.0067 0.0369 0.0828
Schistosoma mansoni hypothetical protein 0.028 0.1984 0.4683
Treponema pallidum fructose-bisphosphate aldolase 0.0288 0.2039 0.5
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0021 0.0022 0.0141
Schistosoma mansoni hypothetical protein 0.013 0.0844 0.1962
Schistosoma mansoni BC026374 protein (S09 family) 0.0067 0.0369 0.0828
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0024 0.0041 0.0044
Loa Loa (eye worm) carboxylesterase 0.0067 0.0369 0.0828
Loa Loa (eye worm) hypothetical protein 0.0035 0.013 0.0258
Echinococcus multilocularis adenosine kinase 0.0105 0.0658 0.0637
Entamoeba histolytica acyl-coA synthetase, putative 0.0072 0.0408 0.1911
Brugia malayi beta-lactamase family protein 0.0035 0.013 0.0258
Loa Loa (eye worm) hypothetical protein 0.0072 0.0408 0.092
Brugia malayi Carboxylesterase family protein 0.0067 0.0369 0.0828
Echinococcus multilocularis para nitrobenzyl esterase 0.0067 0.0369 0.0348
Mycobacterium tuberculosis Conserved protein 0.0035 0.013 0.0827
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0067 0.0369 0.2343
Brugia malayi RNA binding protein 0.0575 0.4212 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.0636 0.9662
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.041 0.2966 0.7027
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0021 0.0022 0.0141
Echinococcus granulosus adenosine kinase 0.0105 0.0658 0.0637
Loa Loa (eye worm) latrophilin receptor protein 2 0.013 0.0844 0.1962
Trypanosoma brucei glucosidase, putative 0.0035 0.0129 0.168
Echinococcus multilocularis geminin 0.0362 0.2602 0.2586
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0137 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0227 0.3219
Trichomonas vaginalis set domain proteins, putative 0.0469 0.3416 0.3604
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0129 0.0107
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0237 0.0215
Brugia malayi hypothetical protein 0.0098 0.0606 0.1393
Loa Loa (eye worm) hypothetical protein 0.0095 0.0584 0.1341
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0054 0.027 0.274
Schistosoma mansoni alpha glucosidase 0.0035 0.0129 0.0255
Onchocerca volvulus 0.0067 0.0369 0.1022
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0129 0.0113
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.013 0.0844 0.1962
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0024 0.0041 0.0292
Echinococcus granulosus neuroligin 0.0067 0.0369 0.0348
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.013 0.0115
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0067 0.0369 0.0828
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.0636 0.9662
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0024 0.0041 0.0044
Onchocerca volvulus 0.0067 0.0369 0.1022
Brugia malayi Inositol-1 0.0036 0.0137 0.0274
Loa Loa (eye worm) carboxylesterase 0.0067 0.0369 0.0828
Trypanosoma cruzi adenosine kinase, putative 0.0105 0.0658 1
Brugia malayi beta-lactamase family protein 0.0035 0.013 0.0258
Leishmania major hypothetical protein, conserved 0.0035 0.013 0.17
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.013 0.1196
Echinococcus granulosus carboxylesterase 5A 0.0067 0.0369 0.0348
Brugia malayi T-complex protein 1, beta subunit 0.0024 0.0041 0.0044
Loa Loa (eye worm) hypothetical protein 0.0072 0.0408 0.092
Mycobacterium ulcerans lipase LipD 0.0035 0.013 0.1196
Onchocerca volvulus 0.0067 0.0369 0.1022
Brugia malayi Carboxylesterase family protein 0.0067 0.0369 0.0828
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0102 0.0636 0.0615
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0022 0.0141
Schistosoma mansoni tar DNA-binding protein 0.0575 0.4212 1
Toxoplasma gondii kinase, pfkB family protein 0.0105 0.0658 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0102 0.0636 0.1465
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0636 0.0652
Echinococcus multilocularis equilibrative nucleoside transporter 3 0.0081 0.0477 0.0455
Schistosoma mansoni inositol monophosphatase 0.0036 0.0137 0.0274
Onchocerca volvulus Serine\/threonine kinase homolog 0.0102 0.0636 0.1809
Loa Loa (eye worm) TAR-binding protein 0.0575 0.4212 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.1065 0.1045
Schistosoma mansoni tar DNA-binding protein 0.0575 0.4212 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0369 0.0828
Plasmodium falciparum thioredoxin reductase 0.0048 0.0227 0.8265
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0024 0.0041 0.0044
Loa Loa (eye worm) hypothetical protein 0.0054 0.027 0.0591
Brugia malayi TAR-binding protein 0.0575 0.4212 1
Loa Loa (eye worm) hypothetical protein 0.013 0.0844 0.1962
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0221 0.0475
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0098 0.0606 0.062
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.011 0.0694 0.4405
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.013 0.0844 0.0824
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2039 0.2142
Trichomonas vaginalis chaperonin, putative 0.0024 0.0041 0.002
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0022 0.0141
Loa Loa (eye worm) hypothetical protein 0.0098 0.0606 0.1393
Loa Loa (eye worm) hypothetical protein 0.0067 0.0369 0.0828
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0227 0.711
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0412 0.2984 0.707
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0129 0.0529
Giardia lamblia Hypothetical protein 0.0098 0.0606 0.2828
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0102 0.0636 0.0615
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.013 0.17
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0057 0.0293 0.0272
Leishmania major T-complex protein 1, beta subunit, putative 0.0024 0.0041 0.0292
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.013 0.0258
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.031 0.0687
Brugia malayi Pre-SET motif family protein 0.0059 0.031 0.0687
Brugia malayi Calcitonin receptor-like protein seb-1 0.041 0.2966 0.7027
Brugia malayi MH2 domain containing protein 0.0116 0.0738 0.1709
Schistosoma mansoni hypothetical protein 0.0047 0.0221 0.0475
Mycobacterium ulcerans beta-lactamase 0.0035 0.013 0.1196
Echinococcus multilocularis acetylcholinesterase 0.0067 0.0369 0.0348
Leishmania major 4-coumarate:coa ligase-like protein 0.0072 0.0408 0.6065
Loa Loa (eye worm) hypothetical protein 0.0059 0.031 0.0687
Loa Loa (eye worm) beta-lactamase 0.0035 0.013 0.0258
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.013 0.0844 0.0824
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.013 0.0827
Onchocerca volvulus 0.0059 0.031 0.0848
Echinococcus granulosus BC026374 protein S09 family 0.0067 0.0369 0.0348
Loa Loa (eye worm) hypothetical protein 0.0035 0.013 0.0258
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2039 0.2142
Mycobacterium ulcerans hypothetical protein 0.0035 0.013 0.1196
Echinococcus granulosus histone lysine methyltransferase setb 0.0059 0.031 0.0288
Brugia malayi AMP-binding enzyme family protein 0.0072 0.0408 0.092
Echinococcus multilocularis BC026374 protein (S09 family) 0.0067 0.0369 0.0348
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.014 0.0926 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0067 0.0369 0.0828
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.011 0.0694 0.4405
Brugia malayi T-complex protein 1, beta subunit 0.0024 0.0041 0.0044
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0024 0.0041 0.0019
Loa Loa (eye worm) hypothetical protein 0.0054 0.027 0.0591
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2039 0.2142
Echinococcus multilocularis survival motor neuron protein 1 0.0233 0.1623 0.1605
Echinococcus multilocularis carboxylesterase 5A 0.0067 0.0369 0.0348
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0137 0.0115
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0129 0.0529
Trypanosoma brucei polo-like protein kinase 0.0102 0.0636 0.9662
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0129 0.0107
Leishmania major trypanothione reductase 0.0048 0.0227 0.3219
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0237 0.0512
Echinococcus granulosus geminin 0.0362 0.2602 0.2586
Schistosoma mansoni alpha-glucosidase 0.0137 0.0897 0.2089
Brugia malayi Carboxylesterase family protein 0.0067 0.0369 0.0828
Mycobacterium ulcerans acyl-CoA synthetase 0.0072 0.0408 0.4267
Loa Loa (eye worm) hypothetical protein 0.0233 0.1623 0.3822
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.013 0.0108
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0636 0.0652
Loa Loa (eye worm) hypothetical protein 0.0196 0.1346 0.316
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0067 0.0369 0.0828
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.013 0.0844 0.0824
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.013 0.0258
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0237 0.0512
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.031 0.0687
Brugia malayi Carboxylesterase family protein 0.0067 0.0369 0.0828
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0098 0.0606 0.062
Schistosoma mansoni neuroligin 3 (S09 family) 0.0067 0.0369 0.0828
Schistosoma mansoni tar DNA-binding protein 0.0575 0.4212 1
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0129 0.168
Plasmodium vivax SET domain protein, putative 0.0059 0.031 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0575 0.4212 1
Schistosoma mansoni hypothetical protein 0.0362 0.2602 0.6158
Brugia malayi Carboxylesterase family protein 0.0067 0.0369 0.0828
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0636 0.0652
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0067 0.0369 0.0368
Brugia malayi Pre-SET motif family protein 0.0412 0.2984 0.707
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0024 0.0041 0.0019
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0129 0.0255
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0021 0.0022 0.0141
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0129 0.0113
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.014 0.0926 0.5875
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.013 0.0115
Schistosoma mansoni cellular tumor antigen P53 0.0196 0.1346 0.316
Schistosoma mansoni adenosine kinase 0.0105 0.0658 0.1517
Loa Loa (eye worm) pigment dispersing factor receptor c 0.041 0.2966 0.7027
Plasmodium falciparum glutathione reductase 0.0048 0.0227 0.8265
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0072 0.0408 0.4267
Mycobacterium tuberculosis Probable oxidoreductase 0.0122 0.0787 0.4995
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.031 0.0288
Trichomonas vaginalis spcc417.12 protein, putative 0.0067 0.0369 0.0368
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0137 0.1809
Schistosoma mansoni tar DNA-binding protein 0.0575 0.4212 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0129 0.0113
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2039 0.2142
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0072 0.0408 0.2588
Mycobacterium tuberculosis Carboxylesterase LipT 0.0067 0.0369 0.2343
Onchocerca volvulus 0.0047 0.0221 0.0587
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0067 0.0369 0.0348
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0247 0.1571
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.013 0.0258
Echinococcus granulosus lysosomal alpha glucosidase 0.0159 0.1065 0.1045
Schistosoma mansoni tar DNA-binding protein 0.0575 0.4212 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2039 0.2142
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0129 0.0255
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0122 0.0787 0.4995
Loa Loa (eye worm) hypothetical protein 0.041 0.2966 0.7027
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0059 0.031 0.4527
Mycobacterium ulcerans acyl-CoA synthetase 0.0072 0.0408 0.4267
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.011 0.0694 0.7437
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.013 0.0115
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.013 0.0115
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.013 0.0827
Loa Loa (eye worm) hypothetical protein 0.0054 0.027 0.0591
Onchocerca volvulus 0.0035 0.013 0.0318
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0288 0.2039 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.013 0.0115
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0137 0.0122
Brugia malayi beta-lactamase 0.0035 0.013 0.0258
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0636 0.0652
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0072 0.0408 0.4267
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0245 0.0237
Mycobacterium tuberculosis Probable dehydrogenase 0.011 0.0694 0.4405
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0636 0.0652
Brugia malayi RNA recognition motif domain containing protein 0.0575 0.4212 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0067 0.0369 0.384
Onchocerca volvulus 0.0035 0.013 0.0318
Brugia malayi Nucleoside transporter family protein 0.0098 0.0606 0.1393
Loa Loa (eye worm) hypothetical protein 0.0035 0.013 0.0258
Loa Loa (eye worm) hypothetical protein 0.0095 0.0584 0.1341
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.013 0.0108
Echinococcus multilocularis tar DNA binding protein 0.0575 0.4212 0.4199
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0247 0.1571
Brugia malayi Latrophilin receptor protein 2 0.013 0.0844 0.1962
Schistosoma mansoni hypothetical protein 0.013 0.0844 0.1962
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.013 0.0844 0.0824
Trichomonas vaginalis conserved hypothetical protein 0.1265 0.9439 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0129 0.0113
Mycobacterium tuberculosis Probable reductase 0.011 0.0694 0.4405
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0129 0.0113
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0022 0.0141
Trypanosoma brucei adenosine kinase, putative 0.0105 0.0658 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0102 0.0636 0.1465
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0137 0.057
Leishmania major 4-coumarate:coa ligase-like protein 0.0072 0.0408 0.6065
Onchocerca volvulus 0.0072 0.0408 0.1136
Mycobacterium leprae Probable lipase LipE 0.0035 0.013 0.1196
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0129 0.0113
Brugia malayi Thioredoxin reductase 0.0048 0.0227 0.0488

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.06 Inhibition of Toxoplasma gondii adenosine kinase ChEMBL. No reference
IC50 (binding) = 8.7 uM Inhibition of Toxoplasma gondii adenosine kinase ChEMBL. No reference
Ki (binding) = 7.06 Inhibition of human ENT1 ChEMBL. 19091561
Ki (binding) = 37.7 uM Inhibition of Toxoplasma gondii adenosine kinase ChEMBL. No reference
Km (binding) = 37.7 uM Binding affinity at Toxoplasma gondii adenosine kinase. ChEMBL. 15055998
Km (binding) = 37.7 uM Binding affinity at Toxoplasma gondii adenosine kinase. ChEMBL. 15055998

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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