Detailed information for compound 1647156

Basic information

Technical information
  • TDR Targets ID: 1647156
  • Name: [(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,1 4,17-trihydroxy-3-[4-hydroxy-5-[5-[5-(5-hydro xy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy- 6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan- 2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl -1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[ a]phenanthren-12-yl] acetate
  • MW: 985.159 | Formula: C50H80O19
  • H donors: 5 H acceptors: 7 LogP: 1.34 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: COC1CC(OC2C(O)CC(OC2C)O[C@H]2CC[C@]3(C(=CC[C@@]4([C@@H]3C[C@@H](OC(=O)C)[C@]3([C@]4(O)CC[C@@]3(O)C(=O)C)C)O)C2)C)OC(C1OC1CC(OC)C(C(O1)C)OC1CC(OC)C(C(O1)C)O)C
  • InChi: 1S/C50H80O19/c1-24-42(54)33(58-9)20-39(61-24)68-44-27(4)64-41(22-35(44)60-11)69-45-26(3)63-40(21-34(45)59-10)67-43-25(2)62-38(19-32(43)53)66-31-13-14-46(7)30(18-31)12-15-49(56)36(46)23-37(65-29(6)52)47(8)48(55,28(5)51)16-17-50(47,49)57/h12,24-27,31-45,53-57H,13-23H2,1-11H3/t24?,25?,26?,27?,31-,32?,33?,34?,35?,36+,37+,38?,39?,40?,41?,42?,43?,44?,45?,46-,47+,48+,49-,50+/m0/s1
  • InChiKey: HTIAXOKKJSQNIG-DVJDOZRASA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[4-hydroxy-5-[5-[5-(5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] acetate
  • acetic acid [(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[[4-hydroxy-5-[[5-[[5-[(5-hydroxy-4-methoxy-6-methyl-2-tetrahydropyranyl)oxy]-4-methoxy-6-methyl-2-tetrahydropyranyl]oxy]-4-methoxy-6-methyl-2-tetrahydropyranyl]oxy]-6-methyl-2-tetrahydropyranyl]oxy]-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] ester
  • acetic acid [(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[4-hydroxy-5-[5-[5-(5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] ester
  • [(3S,8S,9R,10R,12R,13S,14R,17S)-17-ethanoyl-8,14,17-trihydroxy-3-[4-hydroxy-5-[5-[5-(5-hydroxy-4-methoxy-6-methyl-oxan-2-yl)oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] ethanoate
  • NCI60_030354
  • Taiwanoside B

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
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0314 0.0398 0.0398
Leishmania major phosphatidylinositol 3-kinase, putative 0.1726 0.3257 0.3257
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.5057 1 1
Schistosoma mansoni cell adhesion molecule 0.0183 0.0132 0.0132
Trichomonas vaginalis conserved hypothetical protein 0.0639 0.1056 0.1056
Echinococcus multilocularis hemicentin 1 0.0183 0.0132 0.0132
Echinococcus multilocularis 0.0337 0.0445 0.0445
Giardia lamblia Phosphatidylinositol 4-kinase 0.0337 0.0445 0.0445
Echinococcus multilocularis Immunoglobulin 0.0314 0.0398 0.0398
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0545 0.0866 0.0866
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0359 0.0488 0.0488
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0403 0.0577 0.0577
Brugia malayi Prion-like- 0.0183 0.0132 0.0132
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0337 0.0445 0.0445
Trichomonas vaginalis PIKK family atypical protein kinase 0.3773 0.74 0.74
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0359 0.0488 0.0488
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0337 0.0445 0.0445
Echinococcus granulosus hemicentin 1 0.0183 0.0132 0.0132
Trichomonas vaginalis PIKK family atypical protein kinase 0.3773 0.74 0.74
Toxoplasma gondii target of rapamycin (TOR), putative 0.3773 0.74 1
Plasmodium vivax hypothetical protein, conserved 0.0337 0.0445 0.9106
Entamoeba histolytica protein kinase rad3, putative 0.0976 0.1739 0.1739
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0337 0.0445 0.0445
Brugia malayi Immunoglobulin I-set domain containing protein 0.3624 0.7098 0.7098
Mycobacterium leprae conserved hypothetical protein 0.0337 0.0445 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.3773 0.74 0.74
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0337 0.0445 0.0445
Loa Loa (eye worm) hypothetical protein 0.0314 0.0398 0.0398
Giardia lamblia GTOR 0.5057 1 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0337 0.0445 0.0445
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0976 0.1739 0.1739
Trichomonas vaginalis PIKK family atypical protein kinase 0.1726 0.3257 0.3257
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.0132 0.0132
Trichomonas vaginalis conserved hypothetical protein 0.1087 0.1963 0.1963
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0337 0.0445 0.9106
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0617 0.1012 0.1012
Loa Loa (eye worm) hypothetical protein 0.0337 0.0445 0.0445
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0337 0.0445 0.0445
Trichomonas vaginalis PIKK family atypical protein kinase 0.2752 0.5333 0.5333
Leishmania major phosphatidylinositol 4-kinase, putative 0.0337 0.0445 0.0445
Trichomonas vaginalis PIKK family atypical protein kinase 0.301 0.5857 0.5857
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0118 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.4031 0.7924 0.7924
Loa Loa (eye worm) phosphatidylinositol 3 0.0337 0.0445 0.0445
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0337 0.0445 0.0445
Echinococcus granulosus serine protein kinase ATM 0.0976 0.1739 0.1739
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1781 0.3368 0.3368
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0976 0.1739 0.1739
Trichomonas vaginalis PIKK family atypical protein kinase 0.3773 0.74 0.74
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0403 0.0577 0.0577
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0639 0.1056 0.1056
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0976 0.1739 0.1739
Loa Loa (eye worm) hypothetical protein 0.0497 0.0768 0.0768
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0183 0.0132 0.0132
Echinococcus granulosus roundabout 2 0.0497 0.0768 0.0768
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0337 0.0445 0.0445
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.0132 0.0132
Echinococcus granulosus defective proboscis extension response 0.0314 0.0398 0.0398
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0183 0.0132 0.0132
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0359 0.0488 0.0488
Schistosoma mansoni neuroglian 0.0183 0.0132 0.0132
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0118 0 0.5
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0359 0.0488 0.0488
Schistosoma mansoni cell adhesion molecule 0.0183 0.0132 0.0132
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0545 0.0866 0.0866
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0314 0.0398 0.0398
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1087 0.1963 0.2183
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.075 0.128 0.128
Echinococcus multilocularis lachesin 0.0183 0.0132 0.0132
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.5057 1 1
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0183 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.047 0.0713 0.0713
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1781 0.3368 0.3368
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.5057 1 1
Loa Loa (eye worm) hypothetical protein 0.0183 0.0132 0.0132
Echinococcus granulosus peroxidasin 0.0183 0.0132 0.0132
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0359 0.0488 0.0488
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0337 0.0445 0.0445
Leishmania major phosphatidylinositol 3-kinase, putative 0.0359 0.0488 0.0488
Schistosoma mansoni voltage-gated potassium channel 0.0132 0.003 0.003
Loa Loa (eye worm) TK/KIN16 protein kinase 0.3624 0.7098 0.7098
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.0132 0.0132
Trichomonas vaginalis PIKK family atypical protein kinase 0.1738 0.3281 0.3281
Mycobacterium tuberculosis Conserved hypothetical protein 0.0337 0.0445 0.5
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0381 0.0533 0.0533
Loa Loa (eye worm) hypothetical protein 0.0976 0.1739 0.1739
Loa Loa (eye worm) hypothetical protein 0.0183 0.0132 0.0132
Trichomonas vaginalis PIKK family atypical protein kinase 0.0337 0.0445 0.0445
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1781 0.3368 0.3368
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0183 0.0132 0.0132
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0434 0.0641 0.0641
Trichomonas vaginalis PIKK family atypical protein kinase 0.301 0.5857 0.5857
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0359 0.0488 0.0488
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0988 0.1762 0.1762
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0337 0.0445 0.9106
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0403 0.0577 0.0577
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0359 0.0488 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.047 0.0713 0.0713
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.5057 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.4031 0.7924 0.7924
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0403 0.0577 0.0577
Trichomonas vaginalis PIKK family atypical protein kinase 0.2752 0.5333 0.5333
Echinococcus multilocularis tyrosine protein kinase otk 0.0183 0.0132 0.0132
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0501 0.0777 0.0777
Echinococcus multilocularis neuroglian 0.0183 0.0132 0.0132
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.0132 0.0132
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0183 0.0132 0.0132
Echinococcus multilocularis neuroglian 0.0394 0.056 0.056
Trypanosoma brucei target of rapamycin kinase 3, putative 0.4036 0.7933 0.7933
Leishmania major hypothetical protein, unknown function 0.0337 0.0445 0.0445
Loa Loa (eye worm) phosphatidylinositol 3 0.0337 0.0445 0.0445
Loa Loa (eye worm) hypothetical protein 0.0183 0.0132 0.0132
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0121 0.0007 0.0007
Loa Loa (eye worm) phosphatidylinositol 3 0.0337 0.0445 0.0445
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0183 0.0132 0.0132
Brugia malayi Immunoglobulin I-set domain containing protein 0.0314 0.0398 0.0398
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0545 0.0866 0.0866
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0403 0.0577 0.0577
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0337 0.0445 0.0445
Echinococcus multilocularis serine protein kinase ATM 0.0976 0.1739 0.1739
Trichomonas vaginalis PIKK family atypical protein kinase 0.4031 0.7924 0.7924
Loa Loa (eye worm) phosphatidylinositol kinase 0.0337 0.0445 0.0445
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0976 0.1739 0.1739
Schistosoma mansoni nephrin 0.0394 0.056 0.056
Echinococcus granulosus roundabout 2 0.0183 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.0314 0.0398 0.0398
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.2112 0.4039 0.4039
Echinococcus multilocularis roundabout 2 0.0497 0.0768 0.0768
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.0132 0.0132
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.2384 0.4588 0.4588
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0359 0.0488 0.0063
Trichomonas vaginalis PIKK family atypical protein kinase 0.4031 0.7924 0.7924
Trichomonas vaginalis PIKK family atypical protein kinase 0.1726 0.3257 0.3257
Onchocerca volvulus Tyrosine kinase homolog 0.3287 0.6417 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1781 0.3368 0.3368
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0337 0.0445 0.0445
Leishmania major hypothetical protein, conserved 0.0437 0.0646 0.0646
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.5057 1 1
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.047 0.0713 0.0713
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0121 0.0007 0.0007
Entamoeba histolytica hypothetical protein 0.0501 0.0777 0.0777
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0208 0.0183 0.0183
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0121 0.0007 0.0007
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0337 0.0445 0.9106
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.5057 1 1
Echinococcus granulosus lachesin 0.0183 0.0132 0.0132
Echinococcus granulosus tyrosine protein kinase otk 0.0183 0.0132 0.0132
Brugia malayi hypothetical protein 0.0314 0.0398 0.0398
Trypanosoma cruzi target of rapamycin kinase 3 0.4036 0.7933 0.7933
Loa Loa (eye worm) hypothetical protein 0.075 0.128 0.128
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0337 0.0445 0.0445
Trichomonas vaginalis PIKK family atypical protein kinase 0.0988 0.1762 0.1762
Toxoplasma gondii FATC domain-containing protein 0.0976 0.1739 0.186
Trichomonas vaginalis PIKK family atypical protein kinase 0.2747 0.5325 0.5325
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0417 0.0605 0.0605
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0359 0.0488 0.0488
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0403 0.0577 0.0577
Trichomonas vaginalis PIKK family atypical protein kinase 0.5057 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.2752 0.5333 0.5333
Trichomonas vaginalis PIKK family atypical protein kinase 0.3392 0.663 0.663
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0359 0.0488 0.0488
Loa Loa (eye worm) phosphatidylinositol 3 0.0337 0.0445 0.0445
Loa Loa (eye worm) hypothetical protein 0.0314 0.0398 0.0398
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.4036 0.7933 0.7933
Echinococcus multilocularis hemicentin 1 0.0183 0.0132 0.0132
Echinococcus multilocularis peroxidasin 0.0183 0.0132 0.0132
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0976 0.1739 0.1739
Trichomonas vaginalis PIKK family atypical protein kinase 0.3773 0.74 0.74
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0337 0.0445 0.0445
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0359 0.0488 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0478 0.073 0.073
Loa Loa (eye worm) hypothetical protein 0.0497 0.0768 0.0768
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0337 0.0445 0.0445
Echinococcus granulosus neuroglian 0.0183 0.0132 0.0132
Loa Loa (eye worm) phosphatidylinositol 3 0.5057 1 1
Loa Loa (eye worm) hypothetical protein 0.0183 0.0132 0.0132
Leishmania major phosphatidylinositol kinase related protein, putative 0.0337 0.0445 0.0445
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.5057 1 1
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0183 0.0132 0.0132
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0359 0.0488 0.0488
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.5057 1 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0734 0.1248 0.1248
Loa Loa (eye worm) hypothetical protein 0.0183 0.0132 0.0132
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0337 0.0445 0.0445
Trichomonas vaginalis PIKK family atypical protein kinase 0.1726 0.3257 0.3257
Trichomonas vaginalis PIKK family atypical protein kinase 0.0976 0.1739 0.1739
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0337 0.0445 0.9106
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0337 0.0445 0.0445
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.0132 0.0132
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0359 0.0488 0.0488
Leishmania major phosphatidylinositol kinase, putative 0.0337 0.0445 0.0445
Loa Loa (eye worm) hypothetical protein 0.0183 0.0132 0.0132
Entamoeba histolytica hypothetical protein 0.0337 0.0445 0.0445
Trichomonas vaginalis PIKK family atypical protein kinase 0.0639 0.1056 0.1056
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0337 0.0445 0.0445
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0337 0.0445 0.0445
Schistosoma mansoni voltage-gated potassium channel 0.0132 0.003 0.003
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0121 0.0007 0.0007
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0359 0.0488 0.0063
Loa Loa (eye worm) hypothetical protein 0.0314 0.0398 0.0398
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.075 0.128 0.128
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0403 0.0577 0.0577
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1738 0.3281 0.3281
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0183 0.0132 0.0132
Schistosoma mansoni titin 0.0183 0.0132 0.0132
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.5057 1 1
Schistosoma mansoni cell adhesion molecule 0.0417 0.0605 0.0605
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0359 0.0488 0.0488
Echinococcus multilocularis roundabout 2 0.0183 0.0132 0.0132
Trichomonas vaginalis PIKK family atypical protein kinase 0.5057 1 1
Loa Loa (eye worm) hypothetical protein 0.0183 0.0132 0.0132
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0337 0.0445 0.9106
Trichomonas vaginalis PIKK family atypical protein kinase 0.2747 0.5325 0.5325
Echinococcus granulosus roundabout 2 0.0183 0.0132 0.0132
Loa Loa (eye worm) phosphatidylinositol 3 0.1738 0.3281 0.3281
Echinococcus granulosus neuroglian 0.0394 0.056 0.056
Loa Loa (eye worm) hypothetical protein 0.0417 0.0605 0.0605
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.0132 0.0132
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0183 0.0132 0.0132
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0183 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.1021 0.1829 0.1829
Brugia malayi FAT domain containing protein 0.075 0.128 0.128
Schistosoma mansoni septate junction protein 0.0183 0.0132 0.0132
Loa Loa (eye worm) phosphatidylinositol 3 0.069 0.1159 0.1159
Trichomonas vaginalis PIKK family atypical protein kinase 0.1358 0.2512 0.2512
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0545 0.0866 0.0866
Entamoeba histolytica hypothetical protein 0.0337 0.0445 0.0445
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.0132 0.0132
Onchocerca volvulus 0.3185 0.6211 0.9672
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.0132 0.0132
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1726 0.3257 0.3257
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0183 0.0132 0.0132
Schistosoma mansoni vesicular amine transporter 0.0322 0.0414 0.0414
Trichomonas vaginalis PIKK family atypical protein kinase 0.4031 0.7924 0.7924
Entamoeba histolytica hypothetical protein 0.0976 0.1739 0.1739
Echinococcus multilocularis Zinc finger, PHD finger 0.0359 0.0488 0.0488
Giardia lamblia Hypothetical protein 0.0337 0.0445 0.0445
Loa Loa (eye worm) hypothetical protein 0.1087 0.1963 0.1963
Trichomonas vaginalis PIKK family atypical protein kinase 0.3023 0.5882 0.5882
Trichomonas vaginalis PIKK family atypical protein kinase 0.3773 0.74 0.74
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0734 0.1248 0.1248
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0359 0.0488 0.0488
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0359 0.0488 0.0488
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0545 0.0866 0.0866
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1781 0.3368 0.3368
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0403 0.0577 0.0577
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0403 0.0577 0.0577
Trichomonas vaginalis PIKK family atypical protein kinase 0.5057 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0337 0.0445 0.0445
Loa Loa (eye worm) hypothetical protein 0.0314 0.0398 0.0398
Echinococcus granulosus twitchin 0.0394 0.056 0.056
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0359 0.0488 0.0488
Trichomonas vaginalis PIKK family atypical protein kinase 0.4307 0.8482 0.8482
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0359 0.0488 0.0488
Schistosoma mansoni hypothetical protein 0.075 0.128 0.128
Trichomonas vaginalis PIKK family atypical protein kinase 0.3282 0.6406 0.6406
Trichomonas vaginalis PIKK family atypical protein kinase 0.0976 0.1739 0.1739
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0545 0.0866 0.0866
Loa Loa (eye worm) hypothetical protein 0.0183 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.0314 0.0398 0.0398
Trichomonas vaginalis PIKK family atypical protein kinase 0.3023 0.5882 0.5882
Plasmodium vivax hypothetical protein 0.0337 0.0445 0.9106
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0426 0.0624 0.0624
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0545 0.0866 0.0866
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0734 0.1248 0.1248
Brugia malayi Fibronectin type III domain containing protein 0.0314 0.0398 0.0398
Trichomonas vaginalis PIKK family atypical protein kinase 0.2752 0.5333 0.5333
Entamoeba histolytica hypothetical protein 0.0337 0.0445 0.0445
Loa Loa (eye worm) hypothetical protein 0.0639 0.1056 0.1056
Trichomonas vaginalis PIKK family atypical protein kinase 0.3023 0.5882 0.5882
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0976 0.1739 0.1739
Trichomonas vaginalis PIKK family atypical protein kinase 0.3773 0.74 0.74
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0189 0.0144 0.0144
Onchocerca volvulus 0.0337 0.0445 0.0498
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.5057 1 1
Schistosoma mansoni hypothetical protein 0.0337 0.0445 0.0445
Echinococcus granulosus contactin 0.0183 0.0132 0.0132
Echinococcus multilocularis Immunoglobulin 0.0314 0.0398 0.0398
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0337 0.0445 0.0445
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.047 0.0713 0.0713
Schistosoma mansoni septate junction protein 0.0183 0.0132 0.0132
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0617 0.1012 0.1012
Brugia malayi Peroxidasin 0.0183 0.0132 0.0132
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0337 0.0445 0.0445
Schistosoma mansoni cell adhesion molecule 0.0183 0.0132 0.0132
Trichomonas vaginalis conserved hypothetical protein 0.075 0.128 0.128
Echinococcus granulosus Immunoglobulin 0.0314 0.0398 0.0398
Schistosoma mansoni fkbp-rapamycin associated protein 0.0976 0.1739 0.1739
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.5057 1 1
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0976 0.1739 0.1739
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1781 0.3368 0.3368
Onchocerca volvulus 0.0337 0.0445 0.0498
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1738 0.3281 0.3281
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0314 0.0398 0.0398
Trichomonas vaginalis PIKK family atypical protein kinase 0.2747 0.5325 0.5325
Schistosoma mansoni roundabout 0.0183 0.0132 0.0132
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0976 0.1739 0.1739
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0478 0.073 0.073
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0337 0.0445 0.0445
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0359 0.0488 0.0488
Schistosoma mansoni tyrosine kinase 0.0204 0.0175 0.0175
Schistosoma mansoni nephrin 0.0183 0.0132 0.0132
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0183 0.0132 0.0132
Trichomonas vaginalis PIKK family atypical protein kinase 0.1726 0.3257 0.3257
Echinococcus multilocularis roundabout 2 0.0183 0.0132 0.0132

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.251 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.083 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
GI50 (functional) -4.903 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) -4.903 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) -4.903 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) -4.903 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) -4.903 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) -4.903 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) -4.903 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) -4.903 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) -4.903 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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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