Detailed information for compound 156498

Basic information

Technical information
  • TDR Targets ID: 156498
  • Name: (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5 -(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methox yoxolan-2-yl]-2-oxoethoxy]-N-(4-chlorophenyl) -3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxa mide
  • MW: 568.918 | Formula: C23H25ClN4O11
  • H donors: 6 H acceptors: 7 LogP: -2.12 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 3
  • SMILES: CO[C@@H]1[C@H](O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O)[C@H](C(=O)N)O[C@H]1OC(=C[C@@H]([C@@H]1O)O)C(=O)Nc1ccc(cc1)Cl
  • InChi: 1S/C23H25ClN4O11/c1-36-16-15(32)21(28-7-6-13(30)27-23(28)35)38-17(16)18(19(25)33)39-22-14(31)11(29)8-12(37-22)20(34)26-10-4-2-9(24)3-5-10/h2-8,11,14-18,21-22,29,31-32H,1H3,(H2,25,33)(H,26,34)(H,27,30,35)/t11-,14-,15+,16-,17-,18+,21+,22+/m0/s1
  • InChiKey: IDBCFOUYJOPJRY-KQSVRIFWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-oxo-ethoxy]-N-(4-chlorophenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
  • (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-methoxy-2-tetrahydrofuranyl]-2-oxoethoxy]-N-(4-chlorophenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
  • (2S,3S,4S)-2-[(1R)-2-azanyl-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-oxolan-2-yl]-2-oxo-ethoxy]-N-(4-chlorophenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
  • (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-keto-ethoxy]-N-(4-chlorophenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(4-chlorophenyl)-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-oxo-ethoxy]-N-(4-chlorophenyl)-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-methoxy-2-tetrahydrofuranyl]-2-oxoethoxy]-N-(4-chlorophenyl)-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-keto-ethoxy]-N-(4-chlorophenyl)-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-oxolan-2-yl]-2-oxo-ethoxy]-N-(4-chlorophenyl)-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-{(R)-1-Carbamoyl-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydro-furan-2-yl]-methoxy}-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid (4-chloro-phenyl)-amide
  • AIDS-189176
  • AIDS189176

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli phospho-N-acetylmuramoyl-pentapeptide transferase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX Get druggable targets OG5_131597 All targets in OG5_131597
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase Get druggable targets OG5_131597 All targets in OG5_131597
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase Get druggable targets OG5_131597 All targets in OG5_131597
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX Get druggable targets OG5_131597 All targets in OG5_131597
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase Get druggable targets OG5_131597 All targets in OG5_131597
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) Get druggable targets OG5_131597 All targets in OG5_131597
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
Echinococcus multilocularis musashi 0.0024 0.0125 0.0206
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0394 0.4318 0.4298
Brugia malayi hypothetical protein 0.0042 0.0333 0.0622
Trypanosoma brucei hypothetical protein, conserved 0.0062 0.0554 0.2505
Brugia malayi beta-lactamase 0.0062 0.0554 0.1035
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.0281 0.8376
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0089 0.0339
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0016 0.0035 0.0065
Echinococcus multilocularis neuropeptide s receptor 0.0384 0.4199 0.7839
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.02 0.2121 1
Trichomonas vaginalis alpha-glucosidase, putative 0.003 0.0194 0.0834
Trypanosoma brucei Nicastrin, putative 0.0036 0.0268 0.1173
Echinococcus granulosus lamin 0.0024 0.0125 0.0206
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0204 0.2161 1
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0089 0.0339
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0089 0.0339
Mycobacterium ulcerans lipase LipD 0.0062 0.0554 0.0521
Schistosoma mansoni alpha-glucosidase 0.0116 0.117 0.2164
Loa Loa (eye worm) hypothetical protein 0.0038 0.0281 0.0526
Trypanosoma brucei Aph-1 protein, putative 0.0189 0.1997 0.9237
Loa Loa (eye worm) hypothetical protein 0.0062 0.0554 0.1035
Schistosoma mansoni hypothetical protein 0.0099 0.0979 0.1806
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.0465 0.2089
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.0281 0.124
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.0465 0.2089
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0341 0.3711 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0038 0.0285 0.0505
Onchocerca volvulus 0.0062 0.0554 0.2558
Schistosoma mansoni tar DNA-binding protein 0.007 0.065 0.119
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0089 0.0139
Echinococcus granulosus intermediate filament protein 0.0024 0.0125 0.0206
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0204 0.2161 1
Brugia malayi hypothetical protein 0.0099 0.0979 0.1829
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.0281 0.1234
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0089 0.0339
Loa Loa (eye worm) presenilin spe-4 0.0071 0.0663 0.1238
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0049 0.0412 0.1848
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.0465 0.2089
Loa Loa (eye worm) hypothetical protein 0.0042 0.0333 0.0622
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0089 0.0345
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0896 1 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0016 0.0035 0.0092
Toxoplasma gondii ABC1 family protein 0.0062 0.0554 0.8318
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.0465 0.2089
Brugia malayi hypothetical protein 0.0071 0.0663 0.1238
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0014 0.0015 0.0029
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0089 0.0345
Echinococcus granulosus neuropeptide s receptor 0.0384 0.4199 0.7839
Brugia malayi Cathepsin L-like precursor 0.0014 0.0015 0.0029
Loa Loa (eye worm) fibroinase 0.0014 0.0015 0.0029
Onchocerca volvulus 0.0038 0.0281 0.1263
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0089 0.0054
Brugia malayi exodeoxyribonuclease III family protein 0.0016 0.0035 0.0065
Schistosoma mansoni alpha glucosidase 0.003 0.0194 0.0335
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.003 0.0194 0.0834
Trichomonas vaginalis D-aminoacylase, putative 0.0062 0.0554 0.251
Echinococcus granulosus lamin dm0 0.0024 0.0125 0.0206
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0016 0.0035 0.0037
Trypanosoma cruzi PAB1-binding protein , putative 0.0042 0.0333 0.148
Echinococcus multilocularis lamin dm0 0.0024 0.0125 0.0206
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.0285 0.0505
Brugia malayi Presenilin spe-4 0.0071 0.0663 0.1238
Loa Loa (eye worm) hypothetical protein 0.0062 0.0554 0.1035
Trichomonas vaginalis alpha-glucosidase, putative 0.003 0.0194 0.0834
Echinococcus multilocularis neutral alpha glucosidase AB 0.003 0.0194 0.0335
Trichomonas vaginalis ap endonuclease, putative 0.0016 0.0035 0.0092
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0038 0.0285 0.0505
Brugia malayi gamma-secretase subunit aph-1 0.0486 0.5352 1
Mycobacterium ulcerans hypothetical protein 0.0062 0.0554 0.0521
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0016 0.0035 0.062
Onchocerca volvulus 0.0078 0.0739 0.3436
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.0465 0.2089
Echinococcus multilocularis gamma secretase subunit aph 1 0.0486 0.5352 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.0465 0.2089
Trypanosoma cruzi Nicastrin, putative 0.0036 0.0268 0.1179
Brugia malayi intermediate filament protein 0.0024 0.0125 0.0234
Trypanosoma cruzi cysteine peptidase, putative 0.0054 0.0465 0.2094
Trypanosoma cruzi PAB1-binding protein , putative 0.0042 0.0333 0.148
Entamoeba histolytica presenilin 1 peptidase, putative 0.0204 0.2161 1
Toxoplasma gondii LsmAD domain-containing protein 0.0042 0.0333 0.4905
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0038 0.0285 0.0505
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0554 0.251
Loa Loa (eye worm) RNA binding protein 0.007 0.065 0.1215
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0204 0.2161 1
Plasmodium vivax hypothetical protein, conserved 0.0062 0.0554 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0135 0.1383 0.2562
Leishmania major hypothetical protein, conserved 0.0042 0.0333 0.148
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative 0.0204 0.2161 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0062 0.0554 0.1009
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.003 0.0194 0.0834
Brugia malayi Glycosyl hydrolases family 31 protein 0.0135 0.1383 0.2583
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0016 0.0035 0.0092
Brugia malayi Presenilin spe-4 0.0071 0.0663 0.1238
Schistosoma mansoni ap endonuclease 0.0016 0.0035 0.0037
Schistosoma mansoni intermediate filament proteins 0.0024 0.0125 0.0206
Trichomonas vaginalis D-aminoacylase, putative 0.0062 0.0554 0.251
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0089 0.0345
Loa Loa (eye worm) hypothetical protein 0.0062 0.0554 0.1035
Echinococcus granulosus tar DNA binding protein 0.007 0.065 0.119
Mycobacterium tuberculosis Conserved protein 0.0062 0.0554 0.0521
Trichomonas vaginalis alpha-glucosidase, putative 0.003 0.0194 0.0834
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0016 0.0035 0.0366
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0016 0.0035 0.0037
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0016 0.0035 0.0092
Schistosoma mansoni tar DNA-binding protein 0.007 0.065 0.119
Leishmania major cathepsin L-like protease 0.0054 0.0465 0.2094
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0014 0.0015 0.0029
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0024 0.0125 0.0234
Mycobacterium tuberculosis Conserved protein 0.0062 0.0554 0.0521
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0038 0.0285 0.0533
Echinococcus granulosus dna polymerase eta 0.0021 0.0089 0.0139
Leishmania major DNA polymerase kappa, putative 0.0021 0.0089 0.0345
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0089 0.0339
Loa Loa (eye worm) TAR-binding protein 0.007 0.065 0.1215
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0089 0.0345
Brugia malayi Presenilin-like protein At2g29900 0.0071 0.0663 0.1238
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0089 0.0139
Echinococcus granulosus Nicastrin 0.0099 0.0979 0.1806
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0089 0.0345
Echinococcus multilocularis tar DNA binding protein 0.007 0.065 0.119
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0089 0.0054
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.065 0.1215
Echinococcus granulosus gamma secretase subunit aph 1 0.0486 0.5352 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0554 0.1035
Brugia malayi hypothetical protein 0.0099 0.0979 0.1829
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.0281 0.124
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0016 0.0035 0.0085
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0038 0.0281 0.0498
Loa Loa (eye worm) hypothetical protein 0.0014 0.0015 0.0029
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0062 0.0554 0.1009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.0285 0.0505
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0089 0.0167
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.003 0.0194 0.0363
Loa Loa (eye worm) hypothetical protein 0.0021 0.0089 0.0167
Leishmania major hypothetical protein, conserved 0.0058 0.0507 0.2289
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0089 0.0345
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0554 0.251
Echinococcus multilocularis lysosomal alpha glucosidase 0.0135 0.1383 0.2562
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0062 0.0554 0.0521
Loa Loa (eye worm) hypothetical protein 0.0062 0.0554 0.1035
Brugia malayi Cathepsin L-like precursor 0.0014 0.0015 0.0029
Echinococcus granulosus neutral alpha glucosidase AB 0.003 0.0194 0.0335
Echinococcus granulosus dna polymerase kappa 0.0021 0.0089 0.0139
Brugia malayi N-terminal motif family protein 0.02 0.2121 0.3963
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0341 0.3711 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0135 0.1383 0.2583
Brugia malayi Intermediate filament tail domain containing protein 0.0024 0.0125 0.0234
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0038 0.0281 0.124
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.0465 0.2089
Echinococcus multilocularis beta LACTamase domain containing family member 0.0062 0.0554 0.1009
Loa Loa (eye worm) beta-lactamase 0.0062 0.0554 0.1035
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0089 0.0054
Loa Loa (eye worm) hypothetical protein 0.0127 0.1298 0.2426
Trichomonas vaginalis alpha-glucosidase, putative 0.003 0.0194 0.0834
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0062 0.0554 0.1009
Trypanosoma brucei PAB1-binding protein , putative 0.0042 0.0333 0.1475
Echinococcus granulosus lysosomal alpha glucosidase 0.0135 0.1383 0.2562
Trichomonas vaginalis penicillin-binding protein, putative 0.0062 0.0554 0.251
Mycobacterium tuberculosis Probable esterase LipL 0.0062 0.0554 0.0521
Brugia malayi Cathepsin L-like precursor 0.0014 0.0015 0.0029
Entamoeba histolytica hypothetical protein 0.0036 0.0268 0.1179
Trichomonas vaginalis esterase, putative 0.0062 0.0554 0.251
Schistosoma mansoni tar DNA-binding protein 0.007 0.065 0.119
Schistosoma mansoni ap endonuclease 0.0016 0.0035 0.0037
Brugia malayi RNA binding protein 0.007 0.065 0.1215
Onchocerca volvulus 0.0062 0.0554 0.2558
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0038 0.0285 0.0533
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0038 0.0281 0.0498
Loa Loa (eye worm) hypothetical protein 0.0024 0.0125 0.0234
Echinococcus granulosus neuropeptide receptor A26 0.0384 0.4199 0.7839
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.003 0.0194 0.0834
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0062 0.0554 0.1035
Schistosoma mansoni lamin 0.0024 0.0125 0.0206
Brugia malayi gamma-secretase subunit pen-2 0.0191 0.2019 0.3773
Echinococcus granulosus presenilin enhancer 2 0.0191 0.2019 0.3755
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0194 0.0834
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0089 0.0339
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.003 0.0194 0.0834
Loa Loa (eye worm) gamma-secretase subunit pen-2 0.0191 0.2019 0.3773
Echinococcus multilocularis presenilin enhancer 2 0.0191 0.2019 0.3755
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.0281 0.124
Plasmodium vivax ataxin-2 like protein, putative 0.0042 0.0333 0.5896
Trypanosoma cruzi cysteine peptidase, putative 0.0054 0.0465 0.2094
Trypanosoma cruzi Nicastrin, putative 0.0036 0.0268 0.1179
Toxoplasma gondii exonuclease III APE 0.0016 0.0035 0.0304
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.0038 0.0281 1
Echinococcus multilocularis presenilin 0.0204 0.2161 0.402
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0089 0.0345
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0089 0.0339
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.003 0.0194 0.2765
Onchocerca volvulus 0.0062 0.0554 0.2558
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0194 0.0834
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0089 0.0139
Mycobacterium tuberculosis Probable hydrolase 0.0062 0.0554 0.0521
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0089 0.0167
Schistosoma mansoni tar DNA-binding protein 0.007 0.065 0.119
Echinococcus multilocularis neuropeptide receptor A26 0.0384 0.4199 0.7839
Leishmania major hypothetical protein, conserved 0.0062 0.0554 0.251
Loa Loa (eye worm) hypothetical protein 0.0023 0.012 0.0225
Brugia malayi TAR-binding protein 0.007 0.065 0.1215
Trichomonas vaginalis penicillin-binding protein, putative 0.0062 0.0554 0.251
Brugia malayi Cathepsin L-like precursor 0.0014 0.0015 0.0029
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.0285 0.0505
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0089 0.0339
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0038 0.0281 0.0498
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0089 0.0339
Onchocerca volvulus 0.0024 0.0125 0.0522
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0016 0.0035 0.0092
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0019 0.007 0.0102
Schistosoma mansoni tar DNA-binding protein 0.007 0.065 0.119
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0062 0.0554 0.0521
Schistosoma mansoni DNA polymerase eta 0.0021 0.0089 0.0139
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0062 0.0554 0.0521
Onchocerca volvulus 0.0024 0.0125 0.0522
Loa Loa (eye worm) hypothetical protein 0.0062 0.0554 0.1035
Loa Loa (eye worm) hypothetical protein 0.02 0.2121 0.3963
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.0465 0.2089
Mycobacterium ulcerans beta-lactamase 0.0062 0.0554 0.0521
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0062 0.0554 0.1035
Brugia malayi Presenilin spe-4 0.0071 0.0663 0.1238
Schistosoma mansoni alpha-glucosidase 0.0116 0.117 0.2164
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0038 0.0281 0.0498
Echinococcus multilocularis lamin 0.0024 0.0125 0.0206
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0204 0.2161 1
Echinococcus multilocularis nicalin 0.0036 0.0268 0.0474
Brugia malayi Papain family cysteine protease containing protein 0.0014 0.0015 0.0029
Brugia malayi hypothetical protein 0.0127 0.1298 0.2426
Echinococcus granulosus nicalin 0.0036 0.0268 0.0474
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0089 0.0167
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) 0.0204 0.2161 0.402
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.0465 0.2089
Echinococcus multilocularis Nicastrin 0.0099 0.0979 0.1806
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0089 0.0339
Mycobacterium tuberculosis Conserved protein 0.0062 0.0554 0.0521
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0089 0.0139
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.0281 0.124
Brugia malayi RNA recognition motif domain containing protein 0.007 0.065 0.1215
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0038 0.0281 0.4108
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.0465 0.2089
Schistosoma mansoni gamma-secretase subunit aph-1 0.0486 0.5352 1
Toxoplasma gondii hypothetical protein 0.0058 0.0507 0.7586
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0038 0.0281 0.4938
Trichomonas vaginalis D-aminoacylase, putative 0.0062 0.0554 0.251
Trypanosoma brucei glucosidase, putative 0.003 0.0194 0.0828
Trichomonas vaginalis ap endonuclease, putative 0.0016 0.0035 0.0092
Giardia lamblia DINP protein human, muc B family 0.0021 0.0089 0.2205
Brugia malayi hypothetical protein 0.0071 0.0663 0.1238
Leishmania major cathepsin L-like protease 0.0054 0.0465 0.2094
Onchocerca volvulus 0.0127 0.1298 0.6093
Brugia malayi Glycosyl hydrolases family 31 protein 0.003 0.0194 0.0363
Plasmodium falciparum ataxin-2 like protein, putative 0.0042 0.0333 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0089 0.0339
Plasmodium falciparum ataxin-2 like protein, putative 0.0042 0.0333 1
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0038 0.0281 0.0526
Trichomonas vaginalis sucrase-isomaltase, putative 0.003 0.0194 0.0834
Brugia malayi Cathepsin L-like precursor 0.0014 0.0015 0.0029
Trypanosoma cruzi Aph-1 protein, putative 0.0189 0.1997 0.9238
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0089 0.0339
Toxoplasma gondii hypothetical protein 0.0071 0.0663 1
Leishmania major DNA polymerase eta, putative 0.0021 0.0089 0.0345
Mycobacterium tuberculosis Probable lipase LipE 0.0062 0.0554 0.0521
Echinococcus multilocularis Nicastrin 0.0099 0.0979 0.1806
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0486 0.5352 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0089 0.0139
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0089 0.0345
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0896 1 1
Brugia malayi Cathepsin L-like precursor 0.0014 0.0015 0.0029
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0062 0.0554 0.0521
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0089 0.0345
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0896 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.003 0.0194 0.0834
Loa Loa (eye worm) cysteine protease 0.0014 0.0015 0.0029
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0089 0.0339
Trypanosoma cruzi Aph-1 protein, putative 0.0189 0.1997 0.9238
Loa Loa (eye worm) hypothetical protein 0.0099 0.0979 0.1829
Brugia malayi hypothetical protein 0.0027 0.0164 0.0306
Leishmania major cathepsin L-like protease 0.0054 0.0465 0.2094
Trypanosoma brucei presenilin-like aspartic peptidase, putative 0.0204 0.2161 1
Trypanosoma brucei Presenilin enhancer-2 subunit of gamma secretase, putative 0.0058 0.0507 0.2284
Trypanosoma cruzi major cysteine proteinase, putative 0.0042 0.0334 0.1486
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0204 0.2161 1
Brugia malayi hypothetical protein 0.0071 0.0663 0.1238
Trypanosoma cruzi cysteine peptidase, putative 0.0054 0.0465 0.2094
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0089 0.0054
Brugia malayi beta-lactamase family protein 0.0062 0.0554 0.1035
Echinococcus multilocularis dna polymerase eta 0.0021 0.0089 0.0139
Trichomonas vaginalis Nicastrin precursor, putative 0.0099 0.0979 0.4492
Trichomonas vaginalis Nicastrin precursor, putative 0.0099 0.0979 0.4492
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0019 0.007 0.0102
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0038 0.0285 0.0505
Brugia malayi beta-lactamase family protein 0.0062 0.0554 0.1035
Brugia malayi Presenilin family protein 0.0204 0.2161 0.4037
Mycobacterium ulcerans undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe 0.0038 0.0281 0.0247
Mycobacterium ulcerans esterase/lipase LipP 0.0062 0.0554 0.0521
Trichomonas vaginalis maltase-glucoamylase, putative 0.003 0.0194 0.0834
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0089 0.0339
Mycobacterium tuberculosis Probable lipase LipD 0.0062 0.0554 0.0521
Loa Loa (eye worm) intermediate filament protein 0.0024 0.0125 0.0234
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.0465 0.2089
Schistosoma mansoni lamin 0.0024 0.0125 0.0206
Leishmania major alpha glucosidase II subunit, putative 0.003 0.0194 0.0834
Schistosoma mansoni hypothetical protein 0.0019 0.007 0.0102
Loa Loa (eye worm) ctsf protein 0.0014 0.0015 0.0029
Trypanosoma brucei unspecified product 0.0021 0.0089 0.0339
Trypanosoma cruzi cruzipain precursor, putative 0.0054 0.0465 0.2094
Echinococcus granulosus presenilin 0.0204 0.2161 0.402

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 18 ng ml-1 Inhibitory activity against translocase I ChEMBL. 14611838
IC50 (binding) = 18 ng ml-1 Inhibitory activity against translocase I ChEMBL. 14611838
MIC (functional) = 2 ug ml-1 Antimycobacterial activity against M. intracellulare (ATCC1954 E-3) ChEMBL. 14611838
MIC (functional) = 4 ug ml-1 Antimycobacterial activity of the compound against M. avium (NIHJ1605) ChEMBL. 14611838
MIC (functional) = 6.25 ug ml-1 Antimycobacterial activity against Mycobacterium smegmatis (SANK 75075) ChEMBL. 14611838
MIC (functional) = 16 ug ml-1 Antimycobacterial activity against M. kansasii (ATCC12478) ChEMBL. 14611838

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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