Detailed information for compound 1716643

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 848.851 | Formula: C48H40N4O11
  • H donors: 3 H acceptors: 6 LogP: 4.58 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccccc4c(c3Cn1c2=O)/C=N\c1ccccc1N[C@H]1[C@H]2COC(=O)[C@@H]2[C@@H](c2c1cc1OCOc1c2)c1cc(OC)c(c(c1)OC)O
  • InChi: 1S/C48H40N4O11/c1-4-48(57)31-17-35-43-28(19-52(35)45(54)29(31)20-61-47(48)56)27(24-9-5-6-10-32(24)50-43)18-49-33-11-7-8-12-34(33)51-42-26-16-37-36(62-22-63-37)15-25(26)40(41-30(42)21-60-46(41)55)23-13-38(58-2)44(53)39(14-23)59-3/h5-18,30,40-42,51,53,57H,4,19-22H2,1-3H3/b49-18-/t30-,40+,41-,42+,48-/m0/s1
  • InChiKey: MUPKVSTUEPDRJK-SQXFMSHNSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Trichomonas vaginalis PIKK family atypical protein kinase 0.2406 0.3324 0.3281
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0468 0.0557 0.9392
Trichomonas vaginalis PIKK family atypical protein kinase 0.2418 0.3342 0.3299
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.136 0.183 0.1777
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0468 0.0557 0.0496
Giardia lamblia Phosphatidylinositol 4-kinase 0.0468 0.0557 0.0496
Trichomonas vaginalis PIKK family atypical protein kinase 0.136 0.183 0.1777
Loa Loa (eye worm) phosphatidylinositol 3 0.0468 0.0557 0.0557
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0468 0.0557 0.9392
Trichomonas vaginalis PIKK family atypical protein kinase 0.384 0.5371 0.5341
Trichomonas vaginalis PIKK family atypical protein kinase 0.7081 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3845 0.538 0.535
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0468 0.0557 0.0496
Trichomonas vaginalis PIKK family atypical protein kinase 0.5642 0.7945 0.7932
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0123 0.0065 0.5
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0468 0.0557 0.9392
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0879 0.1144 0.1108
Entamoeba histolytica hypothetical protein 0.136 0.183 0.1777
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0684 0.0865 0.0805
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0165 0.0123 0.0084
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0569 0.0701 0.064
Leishmania major hypothetical protein, unknown function 0.0468 0.0557 0.0496
Echinococcus multilocularis fk506 binding protein 0.0123 0.0065 0.0024
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0123 0.0065 0.0024
Loa Loa (eye worm) hypothetical protein 0.0605 0.0753 0.0753
Trichomonas vaginalis PIKK family atypical protein kinase 0.5279 0.7426 0.741
Entamoeba histolytica protein kinase rad3, putative 0.136 0.183 0.1777
Loa Loa (eye worm) hypothetical protein 0.0143 0.0092 0.0092
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0491 0.0589 0.0551
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0491 0.0589 0.0528
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0758 0.0971 0.0935
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0892 0.1162 0.113
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0491 0.0589 0.0556
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0468 0.0557 0.0519
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.7081 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.2406 0.3324 0.3281
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0123 0.0065 0.0029
Loa Loa (eye worm) phosphatidylinositol 3 0.0468 0.0557 0.0557
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.2954 0.4106 0.4068
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0614 0.0765 0.0705
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0468 0.0557 0.0519
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0123 0.0065 0.0065
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0491 0.0589 0.0528
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.1046 0.1382 0.1348
Trichomonas vaginalis PIKK family atypical protein kinase 0.1372 0.1848 0.1795
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.2406 0.3324 0.3281
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0536 0.0654 0.0616
Loa Loa (eye worm) hypothetical protein 0.0468 0.0557 0.0557
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0491 0.0589 0.0551
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.7081 1 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.136 0.183 0.1777
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0684 0.0865 0.0832
Loa Loa (eye worm) phosphatidylinositol 3 0.0468 0.0557 0.0557
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0468 0.0557 0.0524
Loa Loa (eye worm) hypothetical protein 0.0892 0.1162 0.1162
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0195 0.0167 0.0104
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0684 0.0865 0.0805
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0123 0.0065 0.5
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0123 0.0065 0.0024
Loa Loa (eye worm) hypothetical protein 0.1515 0.2051 0.2051
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.5648 0.7953 0.794
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.7081 1 1
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0468 0.0557 0.0519
Trichomonas vaginalis PIKK family atypical protein kinase 0.384 0.5371 0.5341
Trichomonas vaginalis PIKK family atypical protein kinase 0.5279 0.7426 0.741
Trichomonas vaginalis PIKK family atypical protein kinase 0.4233 0.5932 0.5906
Mycobacterium leprae conserved hypothetical protein 0.0468 0.0557 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.5279 0.7426 0.741
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0468 0.0557 0.9392
Leishmania major phosphatidylinositol kinase related protein, putative 0.0468 0.0557 0.0496
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0491 0.0589 0.0046
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0491 0.0589 0.0589
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0491 0.0589 0.0528
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2463 0.3406 0.3383
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.136 0.183 0.1801
Trichomonas vaginalis PIKK family atypical protein kinase 0.5279 0.7426 0.741
Onchocerca volvulus 0.0468 0.0557 0.5
Onchocerca volvulus 0.0468 0.0557 0.5
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.7081 1 1
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0491 0.0589 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.5279 0.7426 0.741
Leishmania major phosphatidylinositol 4-kinase, putative 0.0468 0.0557 0.0496
Entamoeba histolytica hypothetical protein 0.0468 0.0557 0.0496
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0468 0.0557 0.0519
Trypanosoma cruzi target of rapamycin kinase 3 0.5648 0.7953 0.7946
Brugia malayi FAT domain containing protein 0.1046 0.1382 0.1326
Schistosoma mansoni immunophilin 0.0123 0.0065 0.0024
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.136 0.183 0.1777
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0154 0.0108 0.0044
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0468 0.0557 0.0519
Toxoplasma gondii target of rapamycin (TOR), putative 0.5279 0.7426 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.475 0.6672 0.665
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.1046 0.1382 0.1348
Entamoeba histolytica hypothetical protein 0.0468 0.0557 0.0496
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.7081 1 1
Trichomonas vaginalis conserved hypothetical protein 0.1515 0.2051 0.1999
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0123 0.0065 0.0024
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.1372 0.1848 0.1795
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0468 0.0557 0.0524
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0468 0.0557 0.0496
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0684 0.0865 0.0805
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0605 0.0753 0.0715
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0536 0.0654 0.0593
Loa Loa (eye worm) FKBP5 protein 0.0123 0.0065 0.0065
Mycobacterium tuberculosis Conserved hypothetical protein 0.0468 0.0557 0.5
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0468 0.0557 0.0519
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.7081 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.7081 1 1
Schistosoma mansoni immunophilin 0.0123 0.0065 0.0024
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0468 0.0557 0.0496
Trichomonas vaginalis PIKK family atypical protein kinase 0.4209 0.5898 0.5872
Schistosoma mansoni hypothetical protein 0.0468 0.0557 0.0519
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0154 0.0108 0.0044
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0536 0.0654 0.0593
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0123 0.0065 0.0029
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0879 0.1144 0.1108
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0638 0.08 0.074
Schistosoma mansoni voltage-gated potassium channel 0.018 0.0145 0.0105
Trichomonas vaginalis PIKK family atypical protein kinase 0.384 0.5371 0.5341
Trichomonas vaginalis PIKK family atypical protein kinase 0.0892 0.1162 0.1104
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0491 0.0589 0.0046
Trichomonas vaginalis PIKK family atypical protein kinase 0.4233 0.5932 0.5906
Trichomonas vaginalis conserved hypothetical protein 0.1046 0.1382 0.1326
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0491 0.0589 0.0551
Trypanosoma brucei target of rapamycin kinase 3, putative 0.5648 0.7953 0.794
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0684 0.0865 0.0805
Plasmodium vivax hypothetical protein 0.0468 0.0557 0.9392
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0468 0.0557 0.9392
Schistosoma mansoni fkbp-rapamycin associated protein 0.136 0.183 0.1797
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0468 0.0557 0.0496
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0468 0.0557 0.0524
Trichomonas vaginalis PIKK family atypical protein kinase 0.5642 0.7945 0.7932
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0684 0.0865 0.0832
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.136 0.183 0.1797
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0536 0.0654 0.0593
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0468 0.0557 0.0496
Trichomonas vaginalis PIKK family atypical protein kinase 0.3845 0.538 0.535
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0758 0.0971 0.0935
Loa Loa (eye worm) hypothetical protein 0.136 0.183 0.183
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.7081 1 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0468 0.0557 0.0519
Entamoeba histolytica hypothetical protein 0.0638 0.08 0.074
Trichomonas vaginalis PIKK family atypical protein kinase 0.5279 0.7426 0.741
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0123 0.0065 0.0029
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0491 0.0589 0.0528
Trichomonas vaginalis PIKK family atypical protein kinase 0.5642 0.7945 0.7932
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.136 0.183 0.1801
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0468 0.0557 0.0496
Trichomonas vaginalis PIKK family atypical protein kinase 0.2406 0.3324 0.3281
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.7081 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.136 0.183 0.1777
Plasmodium vivax hypothetical protein, conserved 0.0468 0.0557 0.9392
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2463 0.3406 0.3379
Leishmania major hypothetical protein, conserved 0.0571 0.0704 0.0644
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0468 0.0557 0.0524
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2463 0.3406 0.3379
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0491 0.0589 0.0528
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2463 0.3406 0.3379
Loa Loa (eye worm) hypothetical protein 0.1046 0.1382 0.1382
Loa Loa (eye worm) phosphatidylinositol kinase 0.0468 0.0557 0.0557
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.056 0.0688 0.0628
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0165 0.0123 0.0123
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0605 0.0753 0.0693
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0215 0.0196 0.0132
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.7081 1 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1515 0.2051 0.2175
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2463 0.3406 0.3383
Trichomonas vaginalis PIKK family atypical protein kinase 0.4233 0.5932 0.5906
Leishmania major phosphatidylinositol 3-kinase, putative 0.2406 0.3324 0.3281
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2463 0.3406 0.3363
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0165 0.0123 0.0059
Loa Loa (eye worm) hypothetical protein 0.0106 0.004 0.004
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0536 0.0654 0.0593
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.7081 1 1
Echinococcus multilocularis serine protein kinase ATM 0.136 0.183 0.1797
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0536 0.0654 0.0621
Leishmania major phosphatidylinositol 3-related kinase, putative 0.2418 0.3342 0.3299
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0536 0.0654 0.0593
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.136 0.183 0.1797
Giardia lamblia GTOR 0.7081 1 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0514 0.0622 0.0561
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.7081 1 1
Entamoeba histolytica hypothetical protein 0.0468 0.0557 0.0496
Trichomonas vaginalis PIKK family atypical protein kinase 0.4209 0.5898 0.5872
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0491 0.0589 0.0551
Trichomonas vaginalis PIKK family atypical protein kinase 0.1902 0.2604 0.2556
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0123 0.0065 0.0024
Trichomonas vaginalis conserved hypothetical protein 0.0892 0.1162 0.1104
Loa Loa (eye worm) phosphatidylinositol 3 0.0834 0.1079 0.1079
Loa Loa (eye worm) hypothetical protein 0.1433 0.1935 0.1935
Trichomonas vaginalis PIKK family atypical protein kinase 0.4596 0.6451 0.6428
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0491 0.0589 0.0556
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0165 0.0123 0.0084
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0468 0.0557 0.0519
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0614 0.0765 0.0705
Trichomonas vaginalis PIKK family atypical protein kinase 0.2406 0.3324 0.3281
Schistosoma mansoni voltage-gated potassium channel 0.018 0.0145 0.0105
Echinococcus granulosus serine protein kinase ATM 0.136 0.183 0.1797
Trichomonas vaginalis PIKK family atypical protein kinase 0.0468 0.0557 0.0496
Echinococcus granulosus serine:threonine protein kinase SMG1 0.136 0.183 0.1797
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0468 0.0557 0.0524
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0536 0.0654 0.0593
Echinococcus multilocularis 0.0468 0.0557 0.0519
Trichomonas vaginalis PIKK family atypical protein kinase 0.7081 1 1
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0491 0.0589 0.0551
Trichomonas vaginalis PIKK family atypical protein kinase 0.3845 0.538 0.535
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0879 0.1144 0.1108
Trichomonas vaginalis PIKK family atypical protein kinase 0.5279 0.7426 0.741
Giardia lamblia Hypothetical protein 0.0468 0.0557 0.0496
Toxoplasma gondii FATC domain-containing protein 0.136 0.183 0.1854
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.2418 0.3342 0.3299
Leishmania major phosphatidylinositol kinase, putative 0.0468 0.0557 0.0496
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0491 0.0589 0.0528
Trichomonas vaginalis PIKK family atypical protein kinase 0.3845 0.538 0.535
Trichomonas vaginalis PIKK family atypical protein kinase 0.5642 0.7945 0.7932
Schistosoma mansoni hypothetical protein 0.1046 0.1382 0.1348
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0536 0.0654 0.0593
Echinococcus multilocularis Zinc finger, PHD finger 0.0491 0.0589 0.0551
Loa Loa (eye worm) phosphatidylinositol 3 0.2418 0.3342 0.3342
Trichomonas vaginalis PIKK family atypical protein kinase 0.7081 1 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0491 0.0589 0.0528
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0491 0.0589 1
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0491 0.0589 0.0528
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0468 0.0557 0.0496
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0123 0.0065 0.0029
Trichomonas vaginalis PIKK family atypical protein kinase 0.6035 0.8506 0.8496
Loa Loa (eye worm) phosphatidylinositol 3 0.0468 0.0557 0.0557
Trichomonas vaginalis PIKK family atypical protein kinase 0.5642 0.7945 0.7932
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0491 0.0589 0.0528
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.3341 0.4659 0.4624
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0605 0.0753 0.0715
Trichomonas vaginalis PIKK family atypical protein kinase 0.0468 0.0557 0.0496
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0684 0.0865 0.0805

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 37 nM Antiproliferative activity against human KB cells after 72 hrs by ethylene blue dye assay ChEMBL. 22698783
Inhibition (binding) Inhibition of DNA topoisomerase 1 in human KB cells using [C14]thymidine assessed as protein-linked DNA breaks formation at 2.5 uM after 30 mins by agarose gel electrophoresis analysis ChEMBL. 22698783
Inhibition (binding) Inhibition of recombinant DNA topoismerase1-mediated cleavage activity at 25 uM after 15 mins by agarose gel electrophoresis ChEMBL. 22698783

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 22698783

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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