Detailed information for compound 158706

Basic information

Technical information
  • TDR Targets ID: 158706
  • 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-ph enyl-3,4-dihydro-2H-pyran-6-carboxamide
  • MW: 534.473 | Formula: C23H26N4O11
  • H donors: 6 H acceptors: 7 LogP: -2.75 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)Nc1ccccc1
  • InChi: 1S/C23H26N4O11/c1-35-16-15(31)21(27-8-7-13(29)26-23(27)34)37-17(16)18(19(24)32)38-22-14(30)11(28)9-12(36-22)20(33)25-10-5-3-2-4-6-10/h2-9,11,14-18,21-22,28,30-31H,1H3,(H2,24,32)(H,25,33)(H,26,29,34)/t11-,14-,15+,16-,17-,18+,21+,22+/m0/s1
  • InChiKey: FSXMRWZZBKLBLJ-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]-3,4-dihydroxy-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-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-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-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-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-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-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-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-phenyl-5,6-dihydro-4H-pyran-2-carboxamide
  • 6-{Carbamoyl-[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 phenylamide
  • AIDS-188424
  • AIDS188424
  • (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 phenylamide
  • AIDS-189157
  • AIDS189157

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 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
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
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
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
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
Trypanosoma cruzi hypothetical protein, conserved 0.0093 0.0083 0.0056
Trichomonas vaginalis PIKK family atypical protein kinase 0.1973 0.3351 0.3232
Trichomonas vaginalis PIKK family atypical protein kinase 0.0384 0.0589 0.042
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0446 0.0696 0.0497
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0405 0.0624 0.0424
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.5798 1 1
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
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.2419 0.4127 0.4001
Loa Loa (eye worm) FKBP5 protein 0.0166 0.0209 0.0209
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0858 0.1412 0.1412
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0405 0.0624 0.0424
Trichomonas vaginalis PIKK family atypical protein kinase 0.1126 0.1879 0.1733
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1973 0.3351 0.3209
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 0.462 0.7953 0.7916
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
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
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
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0384 0.0589 0.0563
Echinococcus granulosus serine:threonine protein kinase SMG1 0.1115 0.186 0.186
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
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
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0166 0.0209 0.0034
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0166 0.0209 0.0182
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0517 0.0819 0.0655
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
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0166 0.0209 0.0209
Echinococcus multilocularis serine protein kinase ATM 0.1115 0.186 0.186
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
Entamoeba histolytica hypothetical protein 0.0384 0.0589 0.0388
Trichomonas vaginalis PIKK family atypical protein kinase 0.4323 0.7436 0.739
Entamoeba histolytica hypothetical protein 0.0384 0.0589 0.0388
Schistosoma mansoni phosphatidylinositol 3-kinase class 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
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0166 0.0209 0.0182
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0509 0.0806 0.0806
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
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
Loa Loa (eye worm) hypothetical protein 0.0071 0.0044 0.0044
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0166 0.0209 0.0209
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0166 0.0209 0.0209
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
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0384 0.0589 0.0589
Loa Loa (eye worm) phosphatidylinositol 3 0.0716 0.1166 0.1166
Trichomonas vaginalis PIKK family atypical protein kinase 0.1115 0.186 0.1714
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
Leishmania major phosphatidylinositol kinase, putative 0.0384 0.0589 0.0388
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0405 0.0624 0.0624
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0405 0.0624 0.0624
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2025 0.3441 0.3441
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0446 0.0696 0.0529
Loa Loa (eye worm) hypothetical protein 0.0384 0.0589 0.0589
Trichomonas vaginalis PIKK family atypical protein kinase 0.4323 0.7436 0.739
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1115 0.186 0.186
Loa Loa (eye worm) phosphatidylinositol 3 0.0384 0.0589 0.0589
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.5798 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0446 0.0696 0.0497
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
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
Trichomonas vaginalis PIKK family atypical protein kinase 0.3465 0.5945 0.5873
Trichomonas vaginalis PIKK family atypical protein kinase 0.4323 0.7436 0.739
Schistosoma mansoni hypothetical protein 0.0384 0.0589 0.0589
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2025 0.3441 0.3441
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0509 0.0806 0.0806
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0143 0.017 0.017
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0384 0.0589 0.915
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
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
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
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0166 0.0209 0.0209
Schistosoma mansoni voltage-gated potassium channel 0.0172 0.0219 0.0219
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
Onchocerca volvulus 0.0384 0.0589 0.5
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0509 0.0806 0.0806
Schistosoma mansoni voltage-gated potassium channel 0.0172 0.0219 0.0219
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0539 0.0857 0.0662
Schistosoma mansoni immunophilin 0.0143 0.017 0.017
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.5798 1 1
Giardia lamblia Hypothetical protein 0.0384 0.0589 0.0388
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
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0405 0.0624 0.0424
Brugia malayi FAT domain containing protein 0.0858 0.1412 0.1412
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
Schistosoma mansoni immunophilin 0.0166 0.0209 0.0209
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0384 0.0589 0.0563
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0384 0.0589 0.915
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
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0757 0.1238 0.1238
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.058 0.0929 0.0904
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
Entamoeba histolytica hypothetical protein 0.0384 0.0589 0.0388
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
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1115 0.186 0.1686
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.5798 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.058 0.0929 0.0904
Trichomonas vaginalis PIKK family atypical protein kinase 0.4323 0.7436 0.739
Trichomonas vaginalis immunophilin, putative 0.0166 0.0209 0.0034
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
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0405 0.0624 0.0624
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
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0157 0.0194 0.0194
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0384 0.0589 0.0589
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
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 0.315 0.5398 0.5315
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0446 0.0696 0.0696
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0896 0.1479 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.462 0.7953 0.7916
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0405 0.0624 0.0456
Entamoeba histolytica hypothetical protein 0.1115 0.186 0.1686
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1115 0.186 0.186
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0405 0.0624 0.0624
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0384 0.0589 0.0589
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.5798 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0384 0.0589 0.0589
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0446 0.0696 0.0529
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0405 0.0624 0.0624
Trichomonas vaginalis PIKK family atypical protein kinase 0.4323 0.7436 0.739
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0757 0.1238 0.1238
Trichomonas vaginalis PIKK family atypical protein kinase 0.315 0.5398 0.5315
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0405 0.0624 0.0456
Trichomonas vaginalis PIKK family atypical protein kinase 0.462 0.7953 0.7916
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0405 0.0624 0.0051
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.2734 0.4675 0.4561
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
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
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0384 0.0589 0.0388
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0166 0.0209 0.0209
Trichomonas vaginalis PIKK family atypical protein kinase 0.494 0.8509 0.8482
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
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
Schistosoma mansoni hypothetical protein 0.0858 0.1412 0.1412
Trichomonas vaginalis PIKK family atypical protein kinase 0.3763 0.6462 0.6399
Loa Loa (eye worm) hypothetical protein 0.1173 0.196 0.196
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0731 0.1192 0.1167
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0177 0.0229 0.0229
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
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
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

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.5 ng ml-1 Inhibitory concentration of the compound required against Translocase I ChEMBL. 14611839
IC50 (binding) = 6.5 ng ml-1 Inhibitory activity against translocase I ChEMBL. 14611838
IC50 (binding) = 6.5 ng ml-1 Inhibitory concentration of the compound required against Translocase I ChEMBL. 14611839
IC50 (binding) = 6.5 ng ml-1 Inhibitory activity against translocase I ChEMBL. 14611838
MIC (functional) = 4 ug ml-1 Antimycobacterial activity against M. intracellulare ATCC 1954 E-3 ChEMBL. 14611839
MIC (functional) = 4 ug ml-1 Antimycobacterial activity against M. intracellulare (ATCC1954 E-3) ChEMBL. 14611838
MIC (functional) = 6.25 ug ml-1 Antimycobacterial activity was determined against M. smegmatis SANK75075 ChEMBL. 14611839
MIC (functional) = 6.25 ug ml-1 Antimycobacterial activity against Mycobacterium smegmatis (SANK 75075) ChEMBL. 14611838
MIC (functional) = 8 ug ml-1 Antimycobacterial activity against M. kansasii ATCC 12478 ChEMBL. 14611839
MIC (functional) = 8 ug ml-1 Antimycobacterial activity against M. kansasii (ATCC12478) ChEMBL. 14611838
MIC (functional) = 16 ug ml-1 Antimycobacterial activity against M. avium NIHJ1605 ChEMBL. 14611839
MIC (functional) = 16 ug ml-1 Antimycobacterial activity of the compound against M. avium (NIHJ1605) 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

2 literature references were collected for this gene.

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