Detailed information for compound 1611390

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1458.51 | Formula: C82H79N3O22
  • H donors: 5 H acceptors: 11 LogP: 9.13 Rotable bonds: 25
    Rule of 5 violations (Lipinski): 3
  • SMILES: COc1cc(cc(c1O)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)Nc1ccc(cc1)/N=C\c1ccc(cc1)C(=O)O[C@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@@](C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)(C)[C@@H](O)C[C@@H]1[C@]3(CO1)OC(=O)C
  • InChi: 1S/C82H79N3O22/c1-42-60(37-82(96)73(106-76(93)48-22-16-11-17-23-48)71-80(6,61(88)36-62-81(71,40-100-62)107-44(3)87)72(90)69(103-43(2)86)65(42)79(82,4)5)104-78(95)70(66(46-18-12-9-13-19-46)85-74(91)47-20-14-10-15-21-47)105-75(92)49-26-24-45(25-27-49)38-83-51-28-30-52(31-29-51)84-67-54-35-57-56(101-41-102-57)34-53(54)63(64-55(67)39-99-77(64)94)50-32-58(97-7)68(89)59(33-50)98-8/h9-35,38,55,60-64,66-67,69-71,73,84,88-89,96H,36-37,39-41H2,1-8H3,(H,85,91)/b83-38-/t55-,60-,61-,62+,63+,64-,66-,67+,69+,70+,71-,73-,80+,81-,82+/m0/s1
  • InChiKey: SSPVPDMBKRINOE-JTHIKRKHSA-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 0.4741 0.5953 0.5898
Trichomonas vaginalis PIKK family atypical protein kinase 0.5912 0.7438 0.7403
Trichomonas vaginalis PIKK family atypical protein kinase 0.0523 0.0603 0.0476
Trichomonas vaginalis PIKK family atypical protein kinase 0.4298 0.5391 0.5329
Entamoeba histolytica hypothetical protein 0.0523 0.0603 0.0445
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0523 0.0603 0.0603
Trichomonas vaginalis PIKK family atypical protein kinase 0.5912 0.7438 0.7403
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0545 0.0632 0.0632
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0545 0.0632 0.0632
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0523 0.0603 0.0579
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0545 0.0632 0.0473
Trichomonas vaginalis PIKK family atypical protein kinase 0.7932 1 1
Mycobacterium leprae conserved hypothetical protein 0.0523 0.0603 0.5
Entamoeba histolytica hypothetical protein 0.1521 0.1869 0.1732
Loa Loa (eye worm) phosphatidylinositol 3 0.0523 0.0603 0.0603
Trichomonas vaginalis PIKK family atypical protein kinase 0.5912 0.7438 0.7403
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0545 0.0632 0.0504
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2748 0.3426 0.3426
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0523 0.0603 0.9392
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0998 0.1205 0.1183
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0738 0.0876 0.0722
Trichomonas vaginalis PIKK family atypical protein kinase 0.1521 0.1869 0.1758
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0523 0.0603 0.9392
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0738 0.0876 0.0853
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0195 0.0187 0.0187
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0154 0.0135 0.0135
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0164 0.0148 0.0148
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0178 0.0166 0.0166
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.7932 1 1
Trypanosoma cruzi target of rapamycin kinase 3 0.6325 0.7962 0.7957
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1694 0.2088 0.2173
Trichomonas vaginalis conserved hypothetical protein 0.1694 0.2088 0.1981
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0178 0.0166 0.0141
Trichomonas vaginalis PIKK family atypical protein kinase 0.7932 1 1
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0523 0.0603 0.0579
Trichomonas vaginalis conserved hypothetical protein 0.1171 0.1425 0.1308
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0738 0.0876 0.0853
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0523 0.0603 0.9392
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0523 0.0603 0.0579
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.1533 0.1884 0.1747
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0523 0.0603 0.0603
Loa Loa (eye worm) FKBP5 protein 0.0178 0.0166 0.0166
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0591 0.0689 0.0665
Trichomonas vaginalis PIKK family atypical protein kinase 0.0523 0.0603 0.0476
Loa Loa (eye worm) hypothetical protein 0.066 0.0777 0.0777
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.7932 1 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.7932 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.5912 0.7438 0.7403
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0523 0.0603 0.0445
Giardia lamblia Phosphatidylinositol 4-kinase 0.0523 0.0603 0.0445
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0178 0.0166 0.0166
Loa Loa (eye worm) hypothetical protein 0.1171 0.1425 0.1425
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.6325 0.7962 0.7928
Leishmania major phosphatidylinositol kinase related protein, putative 0.0523 0.0603 0.0445
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0523 0.0603 0.0603
Trichomonas vaginalis PIKK family atypical protein kinase 0.5321 0.6688 0.6644
Trichomonas vaginalis PIKK family atypical protein kinase 0.5912 0.7438 0.7403
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1521 0.1869 0.1869
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0178 0.0166 0.0166
Echinococcus granulosus serine:threonine protein kinase SMG1 0.1521 0.1869 0.1869
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.066 0.0777 0.0777
Schistosoma mansoni immunophilin 0.0178 0.0166 0.0166
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0178 0.0166 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0523 0.0603 0.0603
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0623 0.0731 0.0574
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0178 0.0166 0.0141
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0738 0.0876 0.0752
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0545 0.0632 0.0504
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0178 0.0166 0.0032
Trichomonas vaginalis PIKK family atypical protein kinase 0.5912 0.7438 0.7403
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.1521 0.1869 0.1848
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0813 0.0971 0.0971
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0545 0.0632 0.0632
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0523 0.0603 0.0445
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.2692 0.3354 0.3241
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0523 0.0603 0.0476
Echinococcus granulosus serine protein kinase ATM 0.1521 0.1869 0.1869
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0523 0.0603 0.0579
Entamoeba histolytica protein kinase rad3, putative 0.1521 0.1869 0.1732
Leishmania major phosphatidylinositol 3-related kinase, putative 0.2704 0.3369 0.3257
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.7932 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.4298 0.5391 0.5329
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0523 0.0603 0.9392
Loa Loa (eye worm) phosphatidylinositol 3 0.0523 0.0603 0.0603
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0933 0.1123 0.1123
Leishmania major phosphatidylinositol 4-kinase, putative 0.0523 0.0603 0.0445
Trichomonas vaginalis fk506-binding protein, putative 0.0178 0.0166 0.0032
Trichomonas vaginalis PIKK family atypical protein kinase 0.6319 0.7954 0.7926
Leishmania major phosphatidylinositol kinase, putative 0.0523 0.0603 0.0445
Trichomonas vaginalis PIKK family atypical protein kinase 0.4305 0.54 0.5337
Echinococcus multilocularis fk506 binding protein 0.0178 0.0166 0.0166
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0669 0.0788 0.0663
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0523 0.0603 0.0603
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.3307 0.4134 0.4035
Trichomonas vaginalis PIKK family atypical protein kinase 0.2692 0.3354 0.3263
Trichomonas vaginalis PIKK family atypical protein kinase 0.1533 0.1884 0.1774
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0545 0.0632 0.0041
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.1171 0.1425 0.1425
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0591 0.0689 0.0532
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0523 0.0603 0.0476
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.7932 1 1
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0545 0.0632 0.0632
Trichomonas vaginalis PIKK family atypical protein kinase 0.0998 0.1205 0.1086
Loa Loa (eye worm) phosphatidylinositol 3 0.0068 0.0025 0.0025
Trichomonas vaginalis PIKK family atypical protein kinase 0.2692 0.3354 0.3263
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.7932 1 1
Loa Loa (eye worm) phosphatidylinositol kinase 0.0523 0.0603 0.0603
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0545 0.0632 0.0504
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0178 0.0166 0.0166
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0164 0.0148 0.0148
Echinococcus multilocularis 0.0523 0.0603 0.0603
Trichomonas vaginalis PIKK family atypical protein kinase 0.213 0.2641 0.2541
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0545 0.0632 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.4712 0.5916 0.5861
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0523 0.0603 0.0603
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0178 0.0166 0.0166
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0178 0.0166 0.0141
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0545 0.0632 0.0608
Loa Loa (eye worm) phosphatidylinositol 3 0.0523 0.0603 0.0603
Loa Loa (eye worm) hypothetical protein 0.0078 0.0039 0.0039
Loa Loa (eye worm) phosphatidylinositol 3 0.0888 0.1066 0.1066
Trichomonas vaginalis PIKK family atypical protein kinase 0.5148 0.6469 0.6421
Loa Loa (eye worm) hypothetical protein 0.1607 0.1978 0.1978
Trichomonas vaginalis conserved hypothetical protein 0.0998 0.1205 0.1086
Schistosoma mansoni voltage-gated potassium channel 0.0179 0.0167 0.0167
Trichomonas vaginalis PIKK family atypical protein kinase 0.2692 0.3354 0.3263
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0669 0.0788 0.0663
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.2704 0.3369 0.3257
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0591 0.0689 0.0563
Loa Loa (eye worm) phosphatidylinositol 3 0.7932 1 1
Schistosoma mansoni fkbp-rapamycin associated protein 0.1521 0.1869 0.1869
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.7932 1 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0568 0.0661 0.0503
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0545 0.0632 0.0473
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.7932 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.2704 0.3369 0.3279
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0545 0.0632 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.6761 0.8515 0.8495
Leishmania major hypothetical protein, unknown function 0.0523 0.0603 0.0445
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0178 0.0166 0.5
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0545 0.0632 0.0473
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0545 0.0632 0.0632
Echinococcus multilocularis Zinc finger, PHD finger 0.0545 0.0632 0.0632
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.3743 0.4687 0.4598
Onchocerca volvulus 0.0523 0.0603 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.6319 0.7954 0.7926
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0738 0.0876 0.0752
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0523 0.0603 0.0603
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.066 0.0777 0.0777
Plasmodium vivax hypothetical protein, conserved 0.0523 0.0603 0.9392
Loa Loa (eye worm) hypothetical protein 0.0523 0.0603 0.0603
Echinococcus multilocularis serine protein kinase ATM 0.1521 0.1869 0.1869
Loa Loa (eye worm) hypothetical protein 0.1521 0.1869 0.1869
Trichomonas vaginalis PIKK family atypical protein kinase 0.4305 0.54 0.5337
Toxoplasma gondii target of rapamycin (TOR), putative 0.5912 0.7438 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0933 0.1123 0.1123
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0545 0.0632 0.0632
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0591 0.0689 0.0563
Onchocerca volvulus 0.0523 0.0603 0.5
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.7932 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.2704 0.3369 0.3369
Trichomonas vaginalis PIKK family atypical protein kinase 0.1521 0.1869 0.1758
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0523 0.0603 0.0603
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0591 0.0689 0.0689
Trichomonas vaginalis PIKK family atypical protein kinase 0.6319 0.7954 0.7926
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0545 0.0632 0.0632
Trichomonas vaginalis PIKK family atypical protein kinase 0.4305 0.54 0.5337
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.1171 0.1425 0.1425
Entamoeba histolytica hypothetical protein 0.0523 0.0603 0.0445
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1521 0.1869 0.1848
Schistosoma mansoni hypothetical protein 0.0523 0.0603 0.0603
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0523 0.0603 0.0603
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1521 0.1869 0.1869
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0591 0.0689 0.0563
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0738 0.0876 0.0752
Trichomonas vaginalis PIKK family atypical protein kinase 0.6319 0.7954 0.7926
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0523 0.0603 0.0603
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0154 0.0135 0.0135
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0523 0.0603 0.0603
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.1521 0.1869 0.1869
Entamoeba histolytica hypothetical protein 0.0523 0.0603 0.0445
Trichomonas vaginalis PIKK family atypical protein kinase 0.4305 0.54 0.5337
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0813 0.0971 0.0971
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0545 0.0632 0.0473
Trichomonas vaginalis PIKK family atypical protein kinase 0.5912 0.7438 0.7403
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0693 0.0819 0.0664
Trypanosoma cruzi hypothetical protein, conserved 0.0103 0.007 0.0045
Giardia lamblia Hypothetical protein 0.0523 0.0603 0.0445
Schistosoma mansoni immunophilin 0.0178 0.0166 0.0166
Giardia lamblia GTOR 0.7932 1 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0591 0.0689 0.0689
Trichomonas vaginalis immunophilin, putative 0.0178 0.0166 0.0032
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0178 0.0166 0.0166
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0523 0.0603 0.0579
Trichomonas vaginalis PIKK family atypical protein kinase 0.4712 0.5916 0.5861
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0523 0.0603 0.9392
Trichomonas vaginalis PIKK family atypical protein kinase 0.4298 0.5391 0.5329
Schistosoma mansoni voltage-gated potassium channel 0.0179 0.0167 0.0167
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0933 0.1123 0.1123
Entamoeba histolytica hypothetical protein 0.0693 0.0819 0.0664
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0178 0.0166 0.0166
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0545 0.0632 0.0608
Trichomonas vaginalis PIKK family atypical protein kinase 0.4741 0.5953 0.5898
Brugia malayi FAT domain containing protein 0.1171 0.1425 0.1425
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0545 0.0632 0.0041
Loa Loa (eye worm) hypothetical protein 0.0998 0.1205 0.1205
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0738 0.0876 0.0876
Trypanosoma brucei target of rapamycin kinase 3, putative 0.6325 0.7962 0.7928
Loa Loa (eye worm) hypothetical protein 0.0142 0.012 0.012
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.066 0.0777 0.0777
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0615 0.072 0.0563
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0178 0.0166 0.0141
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0523 0.0603 0.0603
Loa Loa (eye worm) hypothetical protein 0.1694 0.2088 0.2088
Loa Loa (eye worm) hypothetical protein 0.0154 0.0135 0.0135
Trichomonas vaginalis PIKK family atypical protein kinase 0.7932 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0215 0.0212 0.0047
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0164 0.0148 0.0148
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0178 0.0166 0.0032
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2748 0.3426 0.3409
Trichomonas vaginalis PIKK family atypical protein kinase 0.4741 0.5953 0.5898
Trichomonas vaginalis PIKK family atypical protein kinase 0.2692 0.3354 0.3263
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2748 0.3426 0.3426
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0591 0.0689 0.0532
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1521 0.1869 0.1732
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.7932 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0591 0.0689 0.0532
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.7932 1 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.2692 0.3354 0.3241
Mycobacterium tuberculosis Conserved hypothetical protein 0.0523 0.0603 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0164 0.0148 0.0148
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1521 0.1869 0.1869
Trichomonas vaginalis PIKK family atypical protein kinase 0.6319 0.7954 0.7926
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0523 0.0603 0.0445
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2748 0.3426 0.3426
Toxoplasma gondii FATC domain-containing protein 0.1521 0.1869 0.1852
Leishmania major phosphatidylinositol 3-kinase, putative 0.0545 0.0632 0.0473
Schistosoma mansoni immunophilin 0.0154 0.0135 0.0135
Plasmodium vivax hypothetical protein 0.0523 0.0603 0.9392
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2748 0.3426 0.3409
Leishmania major hypothetical protein, conserved 0.0626 0.0734 0.0577
Schistosoma mansoni hypothetical protein 0.1171 0.1425 0.1425
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2748 0.3426 0.3426

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -6.342 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.157 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.833 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.572 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.561 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.541 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.529 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.195 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.03 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.301 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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