Detailed information for compound 157407

Basic information

Technical information
  • TDR Targets ID: 157407
  • 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]-3,4-dihydroxy-N-me thyl-N-phenyl-3,4-dihydro-2H-pyran-6-carboxam ide
  • MW: 548.499 | Formula: C24H28N4O11
  • H donors: 5 H acceptors: 7 LogP: -2.57 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • 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)N(c1ccccc1)C
  • InChi: 1S/C24H28N4O11/c1-27(11-6-4-3-5-7-11)21(34)13-10-12(29)15(31)23(37-13)39-19(20(25)33)18-17(36-2)16(32)22(38-18)28-9-8-14(30)26-24(28)35/h3-10,12,15-19,22-23,29,31-32H,1-2H3,(H2,25,33)(H,26,30,35)/t12-,15-,16+,17-,18-,19+,22+,23+/m0/s1
  • InChiKey: JJIGLNASFLRRER-RYQUHRKNSA-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]-3,4-dihydroxy-N-methyl-N-phenyl-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]-3,4-dihydroxy-N-methyl-N-phenyl-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]-3,4-dihydroxy-N-methyl-N-phenyl-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]-3,4-dihydroxy-N-methyl-N-phenyl-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]-4,5-dihydroxy-N-methyl-N-phenyl-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]-4,5-dihydroxy-N-methyl-N-phenyl-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]-4,5-dihydroxy-N-methyl-N-phenyl-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]-4,5-dihydroxy-N-methyl-N-phenyl-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]-4,5-dihydroxy-N-methyl-N-phenyl-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 methyl-phenyl-amide
  • AIDS-189158
  • AIDS189158

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
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
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 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 ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase Get druggable targets OG5_131597 All targets in OG5_131597
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 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
Onchocerca volvulus 0.0384 0.0589 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0172 0.0219 0.0219
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0509 0.0806 0.0806
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0539 0.0857 0.0662
Schistosoma mansoni immunophilin 0.0143 0.017 0.017
Giardia lamblia Hypothetical protein 0.0384 0.0589 0.0388
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.5798 1 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0143 0.017 0.017
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1242 0.208 0.2178
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2025 0.3441 0.3423
Trichomonas vaginalis PIKK family atypical protein kinase 0.3465 0.5945 0.5873
Trichomonas vaginalis PIKK family atypical protein kinase 0.1973 0.3351 0.3232
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2025 0.3441 0.3423
Schistosoma mansoni voltage-gated potassium channel 0.0172 0.0219 0.0219
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0166 0.0209 0.0209
Giardia lamblia GTOR 0.5798 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0446 0.0696 0.0529
Echinococcus granulosus serine protein kinase ATM 0.1115 0.186 0.186
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0468 0.0734 0.0536
Trichomonas vaginalis PIKK family atypical protein kinase 0.462 0.7953 0.7916
Entamoeba histolytica protein kinase rad3, putative 0.1115 0.186 0.1686
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0405 0.0624 0.0051
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0157 0.0194 0.0194
Trichomonas vaginalis PIKK family atypical protein kinase 0.1973 0.3351 0.3232
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.5798 1 1
Toxoplasma gondii FATC domain-containing protein 0.1115 0.186 0.1856
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2025 0.3441 0.3441
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0384 0.0589 0.0589
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0384 0.0589 0.915
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0509 0.0806 0.0806
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2025 0.3441 0.3441
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0143 0.017 0.017
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0405 0.0624 0.0424
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2025 0.3441 0.3441
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0858 0.1412 0.1412
Plasmodium vivax hypothetical protein 0.0384 0.0589 0.915
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0384 0.0589 0.915
Loa Loa (eye worm) hypothetical protein 0.1115 0.186 0.186
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0384 0.0589 0.0589
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0157 0.0194 0.0194
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0384 0.0589 0.0388
Trichomonas vaginalis PIKK family atypical protein kinase 0.462 0.7953 0.7916
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0648 0.1047 0.1047
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0476 0.0748 0.055
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1115 0.186 0.186
Trichomonas vaginalis PIKK family atypical protein kinase 0.315 0.5398 0.5315
Trichomonas vaginalis PIKK family atypical protein kinase 0.0731 0.1192 0.1034
Entamoeba histolytica hypothetical protein 0.0384 0.0589 0.0388
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1115 0.186 0.1686
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.5798 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.4323 0.7436 0.739
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.058 0.0929 0.0904
Loa Loa (eye worm) hypothetical protein 0.0143 0.017 0.017
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0384 0.0589 0.0589
Trichomonas vaginalis immunophilin, putative 0.0166 0.0209 0.0034
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0405 0.0624 0.0624
Schistosoma mansoni immunophilin 0.0166 0.0209 0.0209
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0384 0.0589 0.915
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0384 0.0589 0.0563
Trichomonas vaginalis PIKK family atypical protein kinase 0.3448 0.5914 0.5841
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0166 0.0209 0.0182
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0446 0.0696 0.067
Echinococcus multilocularis fk506 binding protein 0.0166 0.0209 0.0209
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.058 0.0929 0.0904
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0757 0.1238 0.1238
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0341 0.0513 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3146 0.539 0.5307
Brugia malayi FAT domain containing protein 0.0858 0.1412 0.1412
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0405 0.0624 0.0424
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0896 0.1479 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.3465 0.5945 0.5873
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0405 0.0624 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.4625 0.7961 0.7918
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.058 0.0929 0.0766
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0426 0.0661 0.0461
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1984 0.337 0.3228
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.5798 1 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0405 0.0624 0.0624
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0405 0.0624 0.0598
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0405 0.0624 0.0456
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0166 0.0209 0.0209
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0384 0.0589 0.0388
Trichomonas vaginalis PIKK family atypical protein kinase 0.494 0.8509 0.8482
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0405 0.0624 0.0456
Trichomonas vaginalis PIKK family atypical protein kinase 0.462 0.7953 0.7916
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.2734 0.4675 0.4561
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0405 0.0624 0.0051
Entamoeba histolytica hypothetical protein 0.0539 0.0857 0.0662
Loa Loa (eye worm) phosphatidylinositol kinase 0.0384 0.0589 0.0589
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.058 0.0929 0.0735
Entamoeba histolytica hypothetical protein 0.1115 0.186 0.1686
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0405 0.0624 0.0624
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1115 0.186 0.186
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0384 0.0589 0.0589
Loa Loa (eye worm) phosphatidylinositol 3 0.0384 0.0589 0.0589
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0446 0.0696 0.0529
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.5798 1 1
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0405 0.0624 0.0624
Trichomonas vaginalis PIKK family atypical protein kinase 0.315 0.5398 0.5315
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0757 0.1238 0.1238
Trichomonas vaginalis PIKK family atypical protein kinase 0.4323 0.7436 0.739
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0384 0.0589 0.0563
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.1115 0.186 0.186
Trichomonas vaginalis PIKK family atypical protein kinase 0.1984 0.337 0.3251
Giardia lamblia Phosphatidylinositol 4-kinase 0.0384 0.0589 0.0388
Trichomonas vaginalis PIKK family atypical protein kinase 0.462 0.7953 0.7916
Trichomonas vaginalis PIKK family atypical protein kinase 0.315 0.5398 0.5315
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0896 0.1479 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0446 0.0696 0.0696
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0405 0.0624 0.0456
Leishmania major hypothetical protein, unknown function 0.0384 0.0589 0.0388
Trichomonas vaginalis PIKK family atypical protein kinase 0.3448 0.5914 0.5841
Echinococcus multilocularis Zinc finger, PHD finger 0.0405 0.0624 0.0624
Trichomonas vaginalis PIKK family atypical protein kinase 0.1557 0.2628 0.2496
Trichomonas vaginalis fk506-binding protein, putative 0.0166 0.0209 0.0034
Schistosoma mansoni hypothetical protein 0.0858 0.1412 0.1412
Trichomonas vaginalis PIKK family atypical protein kinase 0.3763 0.6462 0.6399
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0731 0.1192 0.1167
Loa Loa (eye worm) hypothetical protein 0.1173 0.196 0.196
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0405 0.0624 0.0598
Trichomonas vaginalis PIKK family atypical protein kinase 0.0384 0.0589 0.042
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0177 0.0229 0.0229
Loa Loa (eye worm) hypothetical protein 0.0136 0.0158 0.0158
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.058 0.0929 0.0766
Trichomonas vaginalis PIKK family atypical protein kinase 0.1973 0.3351 0.3232
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0341 0.0513 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.1984 0.337 0.337
Leishmania major hypothetical protein, conserved 0.0478 0.0751 0.0554
Schistosoma mansoni fkbp-rapamycin associated protein 0.1115 0.186 0.186
Trichomonas vaginalis PIKK family atypical protein kinase 0.5798 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0446 0.0696 0.0696
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.5798 1 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.2419 0.4127 0.4001
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0384 0.0589 0.0589
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.058 0.0929 0.0766
Loa Loa (eye worm) FKBP5 protein 0.0166 0.0209 0.0209
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0405 0.0624 0.0424
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0858 0.1412 0.1412
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1973 0.3351 0.3209
Trichomonas vaginalis PIKK family atypical protein kinase 0.1126 0.1879 0.1733
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0446 0.0696 0.0497
Trichomonas vaginalis PIKK family atypical protein kinase 0.0384 0.0589 0.042
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0405 0.0624 0.0424
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.5798 1 1
Loa Loa (eye worm) hypothetical protein 0.0858 0.1412 0.1412
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0446 0.0696 0.0497
Onchocerca volvulus 0.0384 0.0589 0.5
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.5798 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1973 0.3351 0.3232
Trypanosoma cruzi hypothetical protein, conserved 0.0093 0.0083 0.0056
Schistosoma mansoni immunophilin 0.0166 0.0209 0.0209
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0384 0.0589 0.042
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0157 0.0194 0.0194
Trichomonas vaginalis PIKK family atypical protein kinase 0.1115 0.186 0.1714
Loa Loa (eye worm) phosphatidylinositol 3 0.0061 0.0028 0.0028
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0196 0.0261 0.0052
Trichomonas vaginalis conserved hypothetical protein 0.0731 0.1192 0.1034
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0384 0.0589 0.042
Loa Loa (eye worm) hypothetical protein 0.0509 0.0806 0.0806
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0166 0.0209 0.0182
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0166 0.0209 0.0034
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0517 0.0819 0.0655
Toxoplasma gondii target of rapamycin (TOR), putative 0.4323 0.7436 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1115 0.186 0.1837
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0166 0.0209 0.0182
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0405 0.0624 0.0624
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0405 0.0624 1
Loa Loa (eye worm) hypothetical protein 0.0731 0.1192 0.1192
Leishmania major phosphatidylinositol 3-kinase, putative 0.1973 0.3351 0.3209
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0384 0.0589 0.0589
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1984 0.337 0.3228
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.1115 0.186 0.1837
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0384 0.0589 0.0563
Echinococcus granulosus serine:threonine protein kinase SMG1 0.1115 0.186 0.186
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0384 0.0589 0.0563
Echinococcus multilocularis 0.0384 0.0589 0.0589
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0384 0.0589 0.915
Trichomonas vaginalis PIKK family atypical protein kinase 0.3146 0.539 0.5307
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.5798 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.315 0.5398 0.5315
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0384 0.0589 0.0388
Trichomonas vaginalis PIKK family atypical protein kinase 0.462 0.7953 0.7916
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0166 0.0209 0.0209
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0384 0.0589 0.0563
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0757 0.1238 0.1238
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0896 0.1479 1
Leishmania major phosphatidylinositol kinase related protein, putative 0.0384 0.0589 0.0388
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.5798 1 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0166 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.1242 0.208 0.208
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.1126 0.1879 0.1705
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0384 0.0589 0.0589
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0648 0.1047 0.1047
Loa Loa (eye worm) phosphatidylinositol 3 0.0384 0.0589 0.0589
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0517 0.0819 0.0655
Leishmania major phosphatidylinositol 3-kinase, putative 0.0405 0.0624 0.0424
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0509 0.0806 0.0806
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0166 0.0209 0.0182
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0384 0.0589 0.0589
Loa Loa (eye worm) phosphatidylinositol 3 0.5798 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.5798 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.4323 0.7436 0.739
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0384 0.0589 0.0589
Entamoeba histolytica hypothetical protein 0.0384 0.0589 0.0388
Leishmania major phosphatidylinositol 4-kinase, putative 0.0384 0.0589 0.0388
Trypanosoma cruzi target of rapamycin kinase 3 0.4625 0.7961 0.7956
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0896 0.1479 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0166 0.0209 0.0034
Echinococcus multilocularis serine protein kinase ATM 0.1115 0.186 0.186
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0166 0.0209 0.0209
Entamoeba histolytica hypothetical protein 0.0384 0.0589 0.0388
Trichomonas vaginalis PIKK family atypical protein kinase 0.3889 0.6682 0.6623
Trichomonas vaginalis PIKK family atypical protein kinase 0.4323 0.7436 0.739
Trichomonas vaginalis PIKK family atypical protein kinase 0.3146 0.539 0.5307
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0384 0.0589 0.915
Trichomonas vaginalis PIKK family atypical protein kinase 0.4323 0.7436 0.739
Trichomonas vaginalis PIKK family atypical protein kinase 0.3465 0.5945 0.5873
Loa Loa (eye worm) phosphatidylinositol 3 0.0384 0.0589 0.0589
Trichomonas vaginalis PIKK family atypical protein kinase 0.4323 0.7436 0.739
Schistosoma mansoni hypothetical protein 0.0384 0.0589 0.0589
Leishmania major phosphatidylinositol kinase, putative 0.0384 0.0589 0.0388
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0405 0.0624 0.0624
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0405 0.0624 0.0624
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0446 0.0696 0.0529
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2025 0.3441 0.3441
Trichomonas vaginalis PIKK family atypical protein kinase 0.4323 0.7436 0.739
Loa Loa (eye worm) hypothetical protein 0.0384 0.0589 0.0589
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1115 0.186 0.186
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0446 0.0696 0.0497
Loa Loa (eye worm) phosphatidylinositol 3 0.0384 0.0589 0.0589
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.5798 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1115 0.186 0.1714
Loa Loa (eye worm) phosphatidylinositol 3 0.0716 0.1166 0.1166
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0384 0.0589 0.0589
Trichomonas vaginalis conserved hypothetical protein 0.0858 0.1412 0.1258
Plasmodium vivax hypothetical protein, conserved 0.0384 0.0589 0.915
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0157 0.0194 0.0194
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0384 0.0589 0.0589
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.058 0.0929 0.0929
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0166 0.0209 0.0209
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0166 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.0071 0.0044 0.0044
Trichomonas vaginalis conserved hypothetical protein 0.1242 0.208 0.1938
Trypanosoma brucei target of rapamycin kinase 3, putative 0.4625 0.7961 0.7918
Trichomonas vaginalis PIKK family atypical protein kinase 0.5798 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 2500 ng ml-1 Inhibitory activity against translocase I ChEMBL. 14611838
IC50 (binding) > 2500 ng ml-1 Inhibitory activity against translocase I ChEMBL. 14611838
MIC (functional) > 100 ug ml-1 Antimycobacterial activity against Mycobacterium smegmatis (SANK 75075) 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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