Detailed information for compound 432085

Basic information

Technical information
  • TDR Targets ID: 432085
  • Name: (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[3-(2- bromo-5-fluorophenyl)-1-oxo-2,6-dioxa-1$l^{5} -phosphacyclohex-1-yl]oxymethyl]-3-methyloxol ane-3,4-diol
  • MW: 574.294 | Formula: C20H22BrFN5O7P
  • H donors: 3 H acceptors: 6 LogP: 0.16 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: Fc1ccc(c(c1)C1CCOP(=O)(O1)OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)O)n1cnc2c1ncnc2N)Br
  • InChi: 1S/C20H22BrFN5O7P/c1-20(29)16(28)14(33-19(20)27-9-26-15-17(23)24-8-25-18(15)27)7-32-35(30)31-5-4-13(34-35)11-6-10(22)2-3-12(11)21/h2-3,6,8-9,13-14,16,19,28-29H,4-5,7H2,1H3,(H2,23,24,25)/t13?,14-,16-,19-,20-,35?/m1/s1
  • InChiKey: UOUCNWHNZGTRGQ-HTFPCSPNSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[3-(2-bromo-5-fluoro-phenyl)-1-oxo-2,6-dioxa-1$l^{5}-phosphacyclohex-1-yl]oxymethyl]-3-methyl-tetrahydrofuran-3,4-diol
  • (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[3-(2-bromo-5-fluorophenyl)-1-oxo-2,6-dioxa-1$l^{5}-phosphacyclohex-1-yl]oxymethyl]-3-methyltetrahydrofuran-3,4-diol
  • (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[3-(2-bromo-5-fluoro-phenyl)-1-oxo-2,6-dioxa-1$l^{5}-phosphacyclohex-1-yl]oxymethyl]-3-methyl-oxolane-3,4-diol
  • (2R,3R,4R,5R)-2-adenin-9-yl-5-[[3-(2-bromo-5-fluoro-phenyl)-1-keto-2,6-dioxa-1$l^{5}-phosphacyclohex-1-yl]oxymethyl]-3-methyl-tetrahydrofuran-3,4-diol
  • (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[4-(2-bromo-5-fluorophenyl)-2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl]oxymethyl]-3-methyloxolane-3,4-diol
  • (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[4-(2-bromo-5-fluoro-phenyl)-2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl]oxymethyl]-3-methyl-tetrahydrofuran-3,4-diol
  • (2R,3R,4R,5R)-2-(6-amino-9-purinyl)-5-[[4-(2-bromo-5-fluorophenyl)-2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl]oxymethyl]-3-methyltetrahydrofuran-3,4-diol
  • (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[4-(2-bromo-5-fluoro-phenyl)-2-keto-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl]oxymethyl]-3-methyl-tetrahydrofuran-3,4-diol
  • (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[4-(2-bromo-5-fluoro-phenyl)-2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl]oxymethyl]-3-methyl-oxolane-3,4-diol

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.011 0.0333 0.0464
Loa Loa (eye worm) hypothetical protein 0.0135 0.0564 0.1053
Loa Loa (eye worm) hypothetical protein 0.0085 0.0096 0.0179
Leishmania major metacaspase, putative 0.025 0.1648 0.4348
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.011 0.0333 0.0333
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0881 0.7578 1
Trichomonas vaginalis abcb9, putative 0.0086 0.0105 0.0374
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.035 0.1251
Trichomonas vaginalis conserved hypothetical protein 0.025 0.1648 0.5881
Brugia malayi prolyl oligopeptidase family protein 0.0293 0.2047 0.3823
Brugia malayi Disintegrin family protein 0.0123 0.0447 0.0835
Entamoeba histolytica P-glycoprotein-2, putative 0.0086 0.0105 0.0134
Onchocerca volvulus 0.025 0.1643 0.3068
Trypanosoma cruzi cysteine peptidase, putative 0.0112 0.035 0.0959
Onchocerca volvulus 0.0304 0.2151 0.4017
Echinococcus granulosus Dipeptidyl peptidase 9 0.0289 0.2012 0.2655
Schistosoma mansoni cathepsin F (C01 family) 0.0112 0.035 0.035
Plasmodium falciparum metacaspase-like protein 0.025 0.1648 0.5721
Leishmania major cathepsin L-like protease 0.0112 0.035 0.0692
Toxoplasma gondii cathepsin CPL 0.0112 0.035 0.0499
Plasmodium vivax plasmepsin V, putative 0.011 0.0333 0.0848
Onchocerca volvulus 0.0244 0.1585 0.2961
Leishmania major cathepsin L-like protease 0.0112 0.035 0.0692
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0166 0.0854 0.0854
Loa Loa (eye worm) hypothetical protein 0.0086 0.0105 0.0195
Echinococcus multilocularis cathepsin L cysteine protease 0.0112 0.035 0.034
Entamoeba histolytica P-glycoprotein-5 0.0086 0.0105 0.0134
Mycobacterium ulcerans hydrolase 0.0261 0.1748 0.5
Trypanosoma brucei metacaspase MCA3 0.025 0.1648 0.3927
Plasmodium falciparum plasmepsin IV 0.0373 0.2802 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0086 0.0105 0.0374
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0177 0.0955 0.1725
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.025 0.1648 0.1648
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0086 0.0105 0.0374
Plasmodium falciparum plasmepsin V 0.011 0.0333 0.0848
Trichomonas vaginalis ABC transporter, putative 0.0086 0.0105 0.0374
Trypanosoma cruzi metacaspase, putative 0.025 0.1648 0.451
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0239 0.1546 0.5518
Plasmodium vivax aspartyl proteinase, putative 0.0373 0.2802 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0151 0.0712 0.2542
Leishmania major cathepsin L-like protease 0.0112 0.035 0.0692
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0373 0.2802 0.3616
Brugia malayi Cathepsin L-like precursor 0.0112 0.035 0.0654
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.025 0.1648 0.5881
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.025 0.1648 0.3131
Trypanosoma cruzi cruzipain precursor, putative 0.0112 0.035 0.0959
Trichomonas vaginalis conserved hypothetical protein 0.025 0.1648 0.5881
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0373 0.2802 0.3697
Trypanosoma cruzi metacaspase, putative 0.025 0.1648 0.451
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0086 0.0105 0.0374
Echinococcus multilocularis cysteine protease 0.0112 0.035 0.034
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0112 0.035 0.1251
Echinococcus granulosus caspase 0.0397 0.3029 0.3997
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0088 0.0123 0.0123
Toxoplasma gondii PAN domain-containing protein 0.0611 0.5033 1
Brugia malayi hypothetical protein 0.0132 0.0533 0.0994
Brugia malayi Matrixin family protein 0.0244 0.1585 0.2961
Brugia malayi hypothetical protein 0.025 0.1643 0.3068
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.035 0.1251
Echinococcus granulosus cathepsin l1 0.0112 0.035 0.0462
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.035 0.1251
Onchocerca volvulus 0.0112 0.035 0.0654
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0086 0.0105 0.0374
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0086 0.0105 0.0374
Trypanosoma brucei metacaspase 5, putative 0.025 0.1648 0.3927
Plasmodium vivax aspartyl protease, putative 0.0193 0.1105 0.3708
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0086 0.0105 0.0374
Loa Loa (eye worm) hypothetical protein 0.0467 0.3687 0.6886
Brugia malayi Cathepsin L-like precursor 0.0112 0.035 0.0654
Echinococcus granulosus caspase 8 0.025 0.1648 0.2174
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0088 0.0123 0.0163
Trichomonas vaginalis conserved hypothetical protein 0.025 0.1648 0.5881
Plasmodium vivax plasmepsin IV, putative 0.0373 0.2802 1
Schistosoma mansoni caspase-7 (C14 family) 0.0397 0.3029 0.3029
Echinococcus granulosus cathepsin b 0.0166 0.0854 0.1127
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.025 0.1648 0.5881
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0159 0.0791 0.0791
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0086 0.0105 0.0012
Echinococcus granulosus caspase 2 0.0645 0.5355 0.7066
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0224 0.1399 0.4799
Loa Loa (eye worm) prolyl oligopeptidase 0.0293 0.2047 0.3823
Loa Loa (eye worm) transcription factor SMAD2 0.0233 0.1486 0.2775
Onchocerca volvulus Matrilysin homolog 0.0577 0.4722 0.8819
Leishmania major cathepsin L-like protease 0.0112 0.035 0.0692
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0112 0.035 0.1251
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0086 0.0105 0.0374
Plasmodium falciparum plasmepsin X 0.0193 0.1105 0.3708
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0187 0.1048 0.1048
Brugia malayi multidrug resistance protein 3 0.0086 0.0105 0.0195
Entamoeba histolytica P-glycoprotein-1 0.0086 0.0105 0.0134
Brugia malayi Eukaryotic aspartyl protease family protein 0.011 0.0333 0.0623
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0239 0.1546 0.5518
Onchocerca volvulus 0.0086 0.0105 0.0195
Plasmodium falciparum plasmepsin III 0.011 0.0333 0.0848
Trypanosoma cruzi metacaspase 5, putative 0.025 0.1648 0.451
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.011 0.0333 0.0333
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0112 0.035 0.1251
Loa Loa (eye worm) hypothetical protein 0.0261 0.1748 0.3265
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.025 0.1648 0.5881
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.025 0.1648 0.5881
Echinococcus multilocularis cathepsin L cysteine protease 0.0112 0.035 0.034
Toxoplasma gondii aspartyl protease 0.011 0.0333 0.0464
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.025 0.1648 0.3131
Brugia malayi hypothetical protein 0.011 0.0333 0.0623
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0086 0.0105 0.0374
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0289 0.2012 0.503
Toxoplasma gondii aspartyl protease ASP1 0.0373 0.2802 0.5472
Loa Loa (eye worm) aspartyl protease 6 0.011 0.0333 0.0623
Onchocerca volvulus Cathepsin L homolog 0.0112 0.035 0.0654
Schistosoma mansoni multidrug resistance protein 0.0086 0.0105 0.0105
Brugia malayi Calcitonin receptor-like protein seb-1 0.0097 0.021 0.0392
Echinococcus granulosus multidrug resistance protein 1 0.0086 0.0105 0.0138
Loa Loa (eye worm) hypothetical protein 0.0086 0.0105 0.0195
Toxoplasma gondii cathepsin CPC2 0.0104 0.0276 0.0347
Trypanosoma cruzi cysteine peptidase, putative 0.0112 0.035 0.0959
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0086 0.0105 0.0138
Loa Loa (eye worm) hypothetical protein 0.0159 0.0791 0.1477
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0086 0.0105 0.0138
Trichomonas vaginalis conserved hypothetical protein 0.025 0.1648 0.5881
Brugia malayi Pepsin A precursor 0.011 0.0333 0.0623
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0112 0.035 0.034
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0289 0.2012 0.5507
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0626 0.5182 0.9678
Loa Loa (eye worm) MH2 domain-containing protein 0.0233 0.1486 0.2775
Brugia malayi cathepsin Z-like cysteine proteinase 0.0239 0.1546 0.2887
Plasmodium falciparum plasmepsin VIII, putative 0.011 0.0333 0.0848
Entamoeba histolytica hypothetical protein, conserved 0.0904 0.7788 1
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0192 0.1104 0.1457
Brugia malayi hypothetical protein 0.011 0.0333 0.0623
Schistosoma mansoni hypothetical protein 0.0304 0.2151 0.2151
Onchocerca volvulus 0.0159 0.0791 0.1477
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0289 0.2012 0.5507
Toxoplasma gondii aspartyl protease ASP3 0.0193 0.1105 0.2029
Entamoeba histolytica cysteine protease, putative 0.0112 0.035 0.045
Schistosoma mansoni caspase-7 (C14 family) 0.0645 0.5355 0.5355
Onchocerca volvulus 0.011 0.0333 0.0623
Loa Loa (eye worm) hypothetical protein 0.0166 0.0854 0.1594
Trypanosoma cruzi metacaspase, putative 0.025 0.1648 0.451
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.011 0.0333 0.0333
Entamoeba histolytica P-glycoprotein-2 0.0086 0.0105 0.0134
Trichomonas vaginalis taga, putative 0.0086 0.0105 0.0374
Schistosoma mansoni dihydroceramide desaturase 0.0123 0.0447 0.0447
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0088 0.0123 0.023
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0289 0.2012 0.2561
Trypanosoma cruzi metacaspase, putative 0.025 0.1648 0.451
Brugia malayi Cathepsin L-like precursor 0.0112 0.035 0.0654
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0112 0.035 0.0654
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.011 0.0333 0.0333
Plasmodium vivax aspartyl protease, putative 0.0193 0.1105 0.3708
Echinococcus multilocularis multidrug resistance protein 1 0.0086 0.0105 0.0012
Onchocerca volvulus 0.0112 0.035 0.0654
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0086 0.0105 0.0374
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.011 0.0333 0.0333
Onchocerca volvulus 0.0112 0.035 0.0654
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.035 0.1251
Loa Loa (eye worm) hypothetical protein 0.025 0.1643 0.3068
Trypanosoma cruzi cysteine peptidase, putative 0.0112 0.035 0.0959
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0086 0.0105 0.0374
Onchocerca volvulus Cathepsin L homolog 0.0112 0.035 0.0654
Schistosoma mansoni memapsin-2 (A01 family) 0.0529 0.4265 0.4265
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0112 0.035 0.0654
Plasmodium vivax vivapain-2 0.0112 0.035 0.0911
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0086 0.0105 0.0374
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0112 0.035 0.1251
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.025 0.1648 0.5881
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0397 0.3029 0.3997
Brugia malayi Papain family cysteine protease containing protein 0.0112 0.035 0.0654
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0086 0.0105 0.0374
Echinococcus granulosus caspase 3 0.0147 0.0677 0.0893
Schistosoma mansoni cathepsin F (C01 family) 0.0112 0.035 0.035
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0166 0.0854 0.0854
Loa Loa (eye worm) matrix metalloproteinase 0.0244 0.1585 0.2961
Brugia malayi Matrixin family protein 0.0244 0.1585 0.2961
Loa Loa (eye worm) multidrug resistance protein 3 0.0086 0.0105 0.0195
Brugia malayi Matrixin family protein 0.062 0.5125 0.9571
Plasmodium falciparum plasmepsin VII 0.011 0.0333 0.0848
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0112 0.035 0.0911
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0086 0.0105 0.0374
Entamoeba histolytica P-glyco protein 6, putative 0.0086 0.0105 0.0134
Echinococcus multilocularis caspase 2 0.0645 0.5355 0.7029
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0086 0.0105 0.0012
Loa Loa (eye worm) hypothetical protein 0.0087 0.011 0.0206
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0085 0.0096 0.0126
Schistosoma mansoni multidrug resistance protein 0.0086 0.0105 0.0105
Onchocerca volvulus 0.0112 0.035 0.0654
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0112 0.035 0.0911
Loa Loa (eye worm) matrixin family protein 0.0505 0.4038 0.7542
Echinococcus multilocularis caspase 3 0.0147 0.0677 0.0776
Trichomonas vaginalis abcb9, putative 0.0086 0.0105 0.0374
Echinococcus multilocularis caspase 8 0.025 0.1648 0.2074
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.025 0.1648 0.5881
Trichomonas vaginalis ABC transporter, putative 0.0086 0.0105 0.0374
Echinococcus multilocularis subfamily M12B unassigned peptidase 0.0087 0.011 0.0019
Brugia malayi MH2 domain containing protein 0.0233 0.1486 0.2775
Loa Loa (eye worm) matrixin family protein 0.062 0.5125 0.9571
Loa Loa (eye worm) hypothetical protein 0.0159 0.0791 0.1477
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0087 0.011 0.011
Trypanosoma brucei Metacaspase-4 0.025 0.1648 0.3927
Giardia lamblia Cathepsin B precursor 0.0239 0.1546 1
Brugia malayi Hemopexin family protein 0.0304 0.2151 0.4017
Plasmodium falciparum plasmepsin II 0.0373 0.2802 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0166 0.0854 0.0854
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0086 0.0105 0.0374
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0316 0.2269 0.2269
Echinococcus multilocularis multidrug resistance protein 1 0.0086 0.0105 0.0012
Toxoplasma gondii cathepsin CPC1 0.0224 0.1399 0.2626
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0112 0.035 0.1251
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0293 0.2047 0.3823
Echinococcus multilocularis cysteine protease 0.0112 0.035 0.034
Brugia malayi Matrixin family protein 0.0244 0.1585 0.2961
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0293 0.2047 0.2047
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.011 0.0333 0.0333
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0289 0.2012 0.5374
Echinococcus granulosus cathepsin b 0.0166 0.0854 0.1127
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0464 0.3654 1
Leishmania major cathepsin L-like protease 0.0112 0.035 0.0692
Plasmodium falciparum plasmepsin I 0.0373 0.2802 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0293 0.2047 0.2701
Trichomonas vaginalis abcb9, putative 0.0086 0.0105 0.0374
Brugia malayi cathepsin Z-like cysteine proteinase 0.0239 0.1546 0.2887
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0086 0.0105 0.0374
Toxoplasma gondii PAN domain-containing protein 0.0611 0.5033 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0239 0.1546 0.5518
Echinococcus granulosus adam 17 protease 0.0247 0.1616 0.2133
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0104 0.0276 0.0634
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0086 0.0105 0.0195
Echinococcus granulosus cathepsin L cysteine proteinase 0.0112 0.035 0.0462
Leishmania major cathepsin L-like protease 0.0112 0.035 0.0692
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0097 0.021 0.0392
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.035 0.1251
Schistosoma mansoni cathepsin D (A01 family) 0.1139 1 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0224 0.1399 0.8843
Entamoeba histolytica cysteine proteinase, putative 0.0112 0.035 0.045
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0086 0.0105 0.0374
Onchocerca volvulus Matrix metalloproteinase homolog 0.0505 0.4038 0.7542
Schistosoma mansoni multidrug resistance protein 0.0086 0.0105 0.0105
Brugia malayi aspartic protease BmAsp-2, identical 0.011 0.0333 0.0623
Leishmania major cathepsin L-like protease 0.0112 0.035 0.0692
Loa Loa (eye worm) hypothetical protein 0.0112 0.035 0.0654
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0097 0.021 0.0392
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.035 0.1251
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0112 0.035 0.1251
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0224 0.1399 0.4799
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.025 0.1648 0.5881
Onchocerca volvulus 0.0112 0.035 0.0654
Trichomonas vaginalis conserved hypothetical protein 0.025 0.1648 0.5881
Echinococcus granulosus adam 0.0132 0.0533 0.0703
Plasmodium vivax metacaspase 1, putative 0.025 0.1648 0.5721
Leishmania major phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0464 0.3654 1
Echinococcus multilocularis adam 0.0132 0.0533 0.0584
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0289 0.2012 0.503
Plasmodium vivax aspartyl protease, putative 0.011 0.0333 0.0848
Plasmodium falciparum metacaspase 1 0.025 0.1648 0.5721
Brugia malayi Cathepsin L-like precursor 0.0112 0.035 0.0654
Onchocerca volvulus 0.011 0.0333 0.0623
Loa Loa (eye worm) hypothetical protein 0.0373 0.2802 0.5232
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0239 0.1546 0.5518
Loa Loa (eye worm) hypothetical protein 0.0154 0.0744 0.1389
Echinococcus multilocularis cathepsin b 0.0166 0.0854 0.1013
Trichomonas vaginalis conserved hypothetical protein 0.025 0.1648 0.5881
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0086 0.0105 0.5
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0224 0.1399 0.1399
Onchocerca volvulus Cell death protein 3 homolog 0.0645 0.5355 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0239 0.1546 0.2887
Echinococcus multilocularis cathepsin b 0.0166 0.0854 0.1013
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0224 0.1399 0.4799
Loa Loa (eye worm) hypothetical protein 0.0316 0.2269 0.4238
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0464 0.3654 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0112 0.035 0.0462
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.035 0.1251
Loa Loa (eye worm) hypothetical protein 0.0244 0.1585 0.2961
Schistosoma mansoni smdr2 0.0086 0.0105 0.0105
Brugia malayi aspartic protease BmAsp-1, identical 0.011 0.0333 0.0623
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0881 0.7578 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0086 0.0105 0.0374
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0112 0.035 0.1251
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0086 0.0105 0.0374
Onchocerca volvulus Matrilysin homolog 0.0244 0.1585 0.2961
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0293 0.2047 0.2608
Plasmodium vivax vivapain-2 0.0112 0.035 0.0911
Brugia malayi Cell death protein 3 precursor 0.0645 0.5355 1
Loa Loa (eye worm) aspartic protease BmAsp-1 0.011 0.0333 0.0623
Echinococcus multilocularis adam 17 protease 0.0187 0.1048 0.1273
Brugia malayi Trypsin family protein 0.0159 0.0791 0.1477
Leishmania major cathepsin L-like protease 0.0112 0.035 0.0692
Leishmania major cysteine peptidase A (CPA) 0.0112 0.035 0.0692
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0104 0.0276 0.0634
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0373 0.2802 0.5232
Brugia malayi prolyl oligopeptidase family protein 0.0289 0.2012 0.3757
Loa Loa (eye worm) hypothetical protein 0.011 0.0333 0.0623
Echinococcus granulosus multidrug resistance protein 1 0.0086 0.0105 0.0138
Plasmodium falciparum plasmepsin IX 0.0193 0.1105 0.3708
Brugia malayi Cathepsin L-like precursor 0.0112 0.035 0.0654
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.011 0.0333 0.0333
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.011 0.0333 0.0333
Trypanosoma cruzi cysteine peptidase, putative 0.0112 0.035 0.0959
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0086 0.0105 0.0138
Entamoeba histolytica cysteine proteinase, putative 0.0112 0.035 0.045
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0166 0.0854 0.2337
Brugia malayi cathepsin B-like cysteine proteinase 0.0166 0.0854 0.1594
Onchocerca volvulus 0.0089 0.0132 0.0246
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.035 0.1251
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0086 0.0105 0.0012
Loa Loa (eye worm) fibroinase 0.0112 0.035 0.0654
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.025 0.1648 0.3077
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0261 0.1748 1
Echinococcus multilocularis apoptotic protease activating factor 1 0.025 0.1643 0.2067
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0086 0.0105 0.0374
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0086 0.0105 0.0138
Plasmodium falciparum plasmepsin VI 0.0373 0.2802 1
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0088 0.0123 0.0037
Brugia malayi hypothetical protein 0.0135 0.0564 0.1053
Echinococcus granulosus disintegrin and metalloproteinase 0.0123 0.0447 0.059
Onchocerca volvulus 0.0112 0.035 0.0654
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0373 0.2802 0.2802
Loa Loa (eye worm) hypothetical protein 0.0097 0.021 0.0392
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0464 0.3654 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.035 0.1251
Entamoeba histolytica P-glycoprotein 5, putative 0.0086 0.0105 0.0134
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.025 0.1648 0.3131
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0289 0.2012 0.2012
Echinococcus granulosus subfamily M12B unassigned peptidase 0.0087 0.011 0.0145
Schistosoma mansoni caspase-3 (C14 family) 0.0397 0.3029 0.3029
Trypanosoma brucei metacaspase 0.025 0.1648 0.3927
Echinococcus granulosus multidrug resistance protein 1 0.0086 0.0105 0.0138
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0086 0.0105 0.0374
Loa Loa (eye worm) hypothetical protein 0.025 0.1648 0.3077
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0224 0.1399 0.4799
Plasmodium vivax hypothetical protein, conserved 0.025 0.1648 0.5721
Brugia malayi Matrixin family protein 0.0244 0.1585 0.2961
Plasmodium falciparum cysteine proteinase falcipain 3 0.0112 0.035 0.0911
Loa Loa (eye worm) hypothetical protein 0.0244 0.1585 0.2961
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0084 0.0082 0.0082
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.035 0.1251
Trypanosoma brucei metacaspase MCA2 0.025 0.1648 0.3927
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0373 0.2802 0.5472
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0373 0.2802 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0112 0.035 0.1251
Trichomonas vaginalis ABC transporter, putative 0.0086 0.0105 0.0374
Onchocerca volvulus 0.0112 0.035 0.0654
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0086 0.0105 0.0374
Brugia malayi Cathepsin L-like precursor 0.0112 0.035 0.0654
Brugia malayi ABC transporter family protein 0.0086 0.0105 0.0195
Onchocerca volvulus Cathepsin F homolog 0.0112 0.035 0.0654
Trichomonas vaginalis ABC transporter, putative 0.0086 0.0105 0.0374
Loa Loa (eye worm) hypothetical protein 0.0645 0.5355 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0086 0.0105 0.0012
Loa Loa (eye worm) reprolysin 0.0087 0.011 0.0206
Loa Loa (eye worm) hypothetical protein 0.011 0.0333 0.0623
Mycobacterium leprae PROBABLE HYDROLASE 0.0261 0.1748 0.5
Loa Loa (eye worm) cysteine protease 0.0112 0.035 0.0654
Schistosoma mansoni hypothetical protein 0.025 0.1643 0.1643
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0159 0.0791 0.0791
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.025 0.1648 0.5881
Echinococcus multilocularis disintegrin and metalloproteinase 0.0123 0.0447 0.0469
Echinococcus granulosus apoptotic protease activating factor 1 0.025 0.1643 0.2168
Loa Loa (eye worm) ctsf protein 0.0112 0.035 0.0654
Brugia malayi Angiotensin-converting enzyme family protein 0.0626 0.5182 0.9678
Entamoeba histolytica P-glycoprotein-2 0.0086 0.0105 0.0134
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0261 0.1748 0.3265
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0087 0.011 0.011
Trypanosoma cruzi metacaspase 5, putative 0.025 0.1648 0.451
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0112 0.035 0.1251
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0112 0.035 0.1251
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.035 0.1251
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.025 0.1648 0.5881
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.035 0.1251
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0112 0.035 0.034
Toxoplasma gondii preprocathepsin c precursor, putative 0.0224 0.1399 0.2626
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0192 0.1104 0.1347
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0086 0.0105 0.0374
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.035 0.1251
Plasmodium vivax aspartyl proteinase, putative 0.011 0.0333 0.0848
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0086 0.0105 0.0012
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0166 0.0854 0.0854
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0464 0.3654 1
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0397 0.3029 0.392
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.035 0.1251
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0112 0.035 0.1251
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0132 0.0533 0.0533
Echinococcus multilocularis caspase 0.0397 0.3029 0.392

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) = 72 nmol/g Activation of prodrug to corresponding nucleoside triphosphate in Sprague-Dawley rat hepatocytes at 25 uM after 2 hrs ChEMBL. 17636948

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.