Detailed information for compound 1073820

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 534.61 | Formula: C27H34N8O4
  • H donors: 2 H acceptors: 5 LogP: 2.28 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCNC(=O)Nc1ccc(cc1)c1nc(N2CC3CCC(C2)O3)c2c(n1)n(nc2)C1CCN(CC1)C(=O)OC
  • InChi: 1S/C27H34N8O4/c1-3-28-26(36)30-18-6-4-17(5-7-18)23-31-24(34-15-20-8-9-21(16-34)39-20)22-14-29-35(25(22)32-23)19-10-12-33(13-11-19)27(37)38-2/h4-7,14,19-21H,3,8-13,15-16H2,1-2H3,(H2,28,30,36)
  • InChiKey: JHNAQAVZQKWQRE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha Starlite/ChEMBL References
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania major target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis phosphatidylinositol kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127444 All targets in OG5_127444
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania donovani Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative Get druggable targets OG5_127444 All targets in OG5_127444
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide Get druggable targets OG5_127444 All targets in OG5_127444
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative Get druggable targets OG5_127444 All targets in OG5_127444
Entamoeba histolytica phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Giardia lamblia GTOR Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upsteam TOR2 CDS (CaP19.9461) Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative Get druggable targets OG5_127444 All targets in OG5_127444
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Toxoplasma gondii target of rapamycin (TOR), putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K Get druggable targets OG5_127444 All targets in OG5_127444
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania mexicana phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127444 All targets in OG5_127444
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) Get druggable targets OG5_127212 All targets in OG5_127212
Neospora caninum Phosphatidylinositol 3-kinase tor2, related Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase Get druggable targets OG5_127444 All targets in OG5_127444
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K00922 phosphatidylinositol-4,5-bisphosphate 3-kinase [EC2.7.1.153], putative Get druggable targets OG5_127444 All targets in OG5_127444
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Entamoeba histolytica phosphatidylinositol 3-kinase, putative phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha 1068 aa 927 aa 29.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0391 0.1248
Schistosoma mansoni hypothetical protein 0.0315 0.6348 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0226 0.4389 0.743
Loa Loa (eye worm) hypothetical protein 0.0075 0.1083 0.1728
Loa Loa (eye worm) hypothetical protein 0.0052 0.0566 0.0694
Onchocerca volvulus 0.0075 0.1083 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0122 0.2102 1
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.1083 0.4786
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0148 0.0005
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.1083 0.1187
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0058 0.0697 0.6433
Echinococcus granulosus geminin 0.0178 0.3333 0.5378
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0047 0.0454 0.4191
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0148 0.0005
Loa Loa (eye worm) mbt repeat family protein 0.0052 0.0566 0.0694
Mycobacterium leprae conserved hypothetical protein 0.0075 0.1083 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.1083 0.1728
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.1083 0.4786
Echinococcus multilocularis nuclear receptor co repressor related (ncor) 0.0286 0.5711 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0115 0.1948 0.911
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0098 0.1571 0.6931
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0122 0.2102 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0202 0.3859 0.7285
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0043 0.0374 0.0817
Loa Loa (eye worm) hypothetical protein 0.0075 0.1083 0.1728
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0279 0.0671
Brugia malayi beta-lactamase family protein 0.0075 0.1083 0.1465
Loa Loa (eye worm) hypothetical protein 0.0042 0.0343 0.0247
Loa Loa (eye worm) hypothetical protein 0.0075 0.1083 0.1728
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0122 0.2102 1
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.1083 0.4786
Mycobacterium ulcerans hypothetical protein 0.0075 0.1083 0.5
Giardia lamblia GTOR 0.0058 0.0697 0.9047
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0052 0.0566 0.0323
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0391 0.1248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0391 0.1248
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0104 0.1715 0.2772
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0058 0.0697 0.0541
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0148 0.0005
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0058 0.0697 0.0667
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0122 0.2102 0.357
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0453 0.1562
Loa Loa (eye worm) hypothetical protein 0.0059 0.0724 0.1009
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0058 0.0697 0.0253
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0226 0.4389 0.6721
Echinococcus granulosus histone acetyltransferase MYST2 0.0059 0.0724 0.0306
Echinococcus granulosus beta LACTamase domain containing family member 0.0075 0.1083 0.1004
Schistosoma mansoni hypothetical protein 0.0178 0.3333 0.4954
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.0697 0.281
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0522 0.1918
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.008 0.1187 0.1206
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0043 0.0374 0.1157
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0122 0.2102 1
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.1083 0.4586
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0453 0.1562
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0204 0.3914 0.6507
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0075 0.1083 0.1728
Brugia malayi beta-lactamase family protein 0.0075 0.1083 0.1465
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0029 0.0069 0.0633
Toxoplasma gondii ABC1 family protein 0.0075 0.1083 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.0697 0.281
Mycobacterium leprae Probable lipase LipE 0.0075 0.1083 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0264 0.5214 1
Brugia malayi beta-lactamase 0.0075 0.1083 0.1465
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.008 0.1187 0.168
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0058 0.0697 0.2533
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0391 0.1248
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.1083 0.4786
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0217 0.0356
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0122 0.2102 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.1083 0.1728
Loa Loa (eye worm) hypothetical protein 0.0075 0.1083 0.1728
Brugia malayi mbt repeat family protein 0.0052 0.0566 0.0398
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.1083 1
Entamoeba histolytica hypothetical protein 0.0098 0.1571 0.6931
Loa Loa (eye worm) hypothetical protein 0.0264 0.5214 1
Mycobacterium ulcerans lipase LipD 0.0075 0.1083 0.5
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0043 0.0374 0.3451
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0075 0.1083 0.1465
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0217 0.0356
Onchocerca volvulus 0.0075 0.1083 1
Loa Loa (eye worm) MBCTL1 0.0059 0.0724 0.1009
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0056 0.0657 0.1637
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0058 0.0697 0.6433
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0059 0.0724 0.0306
Leishmania major hypothetical protein, conserved 0.0075 0.1083 1
Echinococcus multilocularis geminin 0.0178 0.3333 0.5378
Schistosoma mansoni myelin transcription factor 1 myt1 0.0059 0.0724 0.0586
Brugia malayi mbt repeat family protein 0.0052 0.0566 0.0398
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0453 0.1562
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.1083 0.1187
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.008 0.1187 0.1206
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0061 0.0758 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.021 0.032
Echinococcus multilocularis beta LACTamase domain containing family member 0.0075 0.1083 0.1004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0217 0.0356
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0391 0.1248
Mycobacterium ulcerans esterase/lipase LipP 0.0075 0.1083 0.5
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0204 0.3914 0.6507
Loa Loa (eye worm) beta-lactamase 0.0075 0.1083 0.1728
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0059 0.0724 0.0724
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.021 0.032
Plasmodium vivax hypothetical protein, conserved 0.0075 0.1083 0.5
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0566 0.0323
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0122 0.2102 1
Trichomonas vaginalis esterase, putative 0.0075 0.1083 0.4786
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0566 0.0323
Mycobacterium ulcerans beta-lactamase 0.0075 0.1083 0.5
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0058 0.0697 0.1869
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0058 0.0697 0.1869
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0043 0.0374 0.1157
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.1083 0.4586
Loa Loa (eye worm) phosphatidylinositol 3 0.0058 0.0697 0.0954
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0058 0.0697 0.386
Loa Loa (eye worm) hypothetical protein 0.008 0.1187 0.1936
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0043 0.0374 0.1157
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0059 0.0724 0.0306
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.0697 0.281
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0226 0.4389 0.743
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0085 0.1289 0.5839
Echinococcus multilocularis histone acetyltransferase MYST2 0.0059 0.0724 0.0306
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0085 0.1289 0.5839
Schistosoma mansoni hypothetical protein 0.0178 0.3333 0.4954
Echinococcus granulosus nuclear receptor co repressor related ncor 0.0286 0.5711 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0075 0.1083 0.5
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0058 0.0697 0.386
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0453 0.1562
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0058 0.0697 0.0253
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0058 0.0697 0.2533
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0391 0.1248
Trypanosoma cruzi target of rapamycin kinase 3 0.0047 0.0454 0.1243
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0148 0.0005
Onchocerca volvulus 0.0075 0.1083 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0304 0.0803
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.1083 0.4786
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0453 0.1562
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0391 0.1248

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.2 nM Inhibition of FLAG-tagged human mTOR by DELFIA method ChEMBL. 19916508
IC50 (functional) = 9 nM Growth inhibition of human LNCAP cells after 3 days by MTS method ChEMBL. 19916508
IC50 (binding) = 5333 nM Inhibition of PI3Kalpha ChEMBL. 19916508

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 19916508

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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