Detailed information for compound 1997641

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 522.614 | Formula: C28H35FN6O3
  • H donors: 0 H acceptors: 4 LogP: 3.86 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: C[C@H]1COCCN1c1nc2nc(ccc2c(n1)N1CCOC[C@@H]1C)c1ccc(c(c1)C(=O)N(C(C)C)C)F
  • InChi: 1S/C28H35FN6O3/c1-17(2)33(5)27(36)22-14-20(6-8-23(22)29)24-9-7-21-25(30-24)31-28(35-11-13-38-16-19(35)4)32-26(21)34-10-12-37-15-18(34)3/h6-9,14,17-19H,10-13,15-16H2,1-5H3/t18-,19-/m0/s1
  • InChiKey: SOLBNQOBCSLENJ-OALUTQOASA-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 mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Trichomonas vaginalis PIKK family atypical protein kinase 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
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 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
Giardia lamblia GTOR 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
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, 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
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
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
Trichomonas vaginalis PIKK family atypical protein kinase 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
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
Toxoplasma gondii target of rapamycin (TOR), putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 1, 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 brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, 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
Neospora caninum Phosphatidylinositol 3-kinase tor2, related 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
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
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
Leishmania donovani Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 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
Loa Loa (eye worm) hypothetical protein 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
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 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
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 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 1, 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
Echinococcus multilocularis FKBP12 rapamycin complex associated 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
Trichomonas vaginalis PIKK family atypical protein kinase 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
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
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 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
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_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
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
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_127212 All targets in OG5_127212
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
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
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
Loa Loa (eye worm) hypothetical protein 0.004 0.0963 0.0963
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0074 0.274 0.2699
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0013
Echinococcus granulosus roundabout 2 0.0034 0.0645 0.0645
Echinococcus multilocularis protein jagged 1 0.0022 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0013
Trypanosoma cruzi trypanothione reductase, putative 0.0074 0.274 0.1819
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0551 0.0631
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0013
Schistosoma mansoni septate junction protein 0.0022 0.0013 0.0013
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.1698 0.0645
Brugia malayi EGF-like domain containing protein 0.0022 0.0013 0.0013
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0074 0.274 0.5
Onchocerca volvulus 0.004 0.0963 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.0979 0.0967
Brugia malayi GCC2 and GCC3 family protein 0.0062 0.2085 0.2085
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.1124 0.308
Leishmania major trypanothione reductase 0.0215 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.1698 0.1698
Echinococcus granulosus notch 0.0022 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.1124 0.308
Schistosoma mansoni notch 0.0022 0.0013 0.0013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.1288 0.3782
Echinococcus multilocularis C type lectin domian containing protein 0.004 0.0963 0.0963
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.1124 0.308
Loa Loa (eye worm) hypothetical protein 0.0062 0.2085 0.2085
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.1698 0.0645
Loa Loa (eye worm) hypothetical protein 0.0034 0.0645 0.0645
Onchocerca volvulus 0.004 0.0963 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0055 0.1718 0.1718
Loa Loa (eye worm) hypothetical protein 0.004 0.0963 0.0963
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0013
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0979 0.246
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0979 0.246
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0013
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0074 0.274 0.1819
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0028 0.0362 0.0362
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0074 0.274 0.274
Onchocerca volvulus 0.004 0.0963 1
Plasmodium falciparum thioredoxin reductase 0.0074 0.274 0.1966
Brugia malayi hypothetical protein 0.004 0.0963 0.0963
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0406 0.001
Brugia malayi notch-like transmembrane receptor 0.0022 0.0013 0.0013
Echinococcus granulosus neurogenic locus notch protein 0.0022 0.0013 0.0013
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.1698 0.1698
Loa Loa (eye worm) hypothetical protein 0.0028 0.0362 0.0362
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0013
Echinococcus multilocularis roundabout 2 0.0034 0.0645 0.0645
Echinococcus granulosus twitchin 0.0027 0.0283 0.0283
Echinococcus multilocularis neurogenic locus protein delta 0.0022 0.0013 0.0013
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0074 0.274 0.1966
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.1698 0.554
Echinococcus granulosus neuroglian 0.0027 0.0283 0.0283
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0013
Trypanosoma brucei trypanothione reductase 0.0215 1 1
Echinococcus multilocularis neurogenic locus protein delta 0.0022 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0013
Echinococcus multilocularis fibropellin Ia 0.0022 0.0013 0.0013
Echinococcus granulosus protein jagged 1 0.0022 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0013
Brugia malayi Thioredoxin reductase 0.0215 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0979 0.246
Trichomonas vaginalis mercuric reductase, putative 0.0074 0.274 1
Echinococcus granulosus slit 2 protein 0.0022 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0045 0.1196 0.1196
Loa Loa (eye worm) hypothetical protein 0.004 0.0963 0.0963
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0028 0.0362 0.0362
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0074 0.274 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.0963 0.0963
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0406 0.001
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.1126 0.1076
Brugia malayi Cadherin domain containing protein 0.0022 0.0013 0.0013
Brugia malayi Calcium binding EGF domain containing protein 0.0022 0.0013 0.0013
Loa Loa (eye worm) Notch2 0.0022 0.0013 0.0013
Brugia malayi Delta serrate ligand family protein 0.0022 0.0013 0.0013
Schistosoma mansoni slit 0.0022 0.0013 0.0013
Schistosoma mansoni hypothetical protein 0.0022 0.0013 0.0013
Echinococcus multilocularis neural cadherin 0.0022 0.0013 0.0013
Echinococcus granulosus neural cadherin 0.0022 0.0013 0.0013
Schistosoma mansoni notch 0.0022 0.0013 0.0013
Loa Loa (eye worm) pregnancy-associated plasma protein-E 0.004 0.0963 0.0963
Brugia malayi hypothetical protein 0.004 0.0963 0.0963
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0013
Brugia malayi Calcium binding EGF domain containing protein 0.0022 0.0013 0.0013
Echinococcus multilocularis neurogenic locus notch protein 4 0.0022 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0013
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0074 0.274 0.1819
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0774 0.1582
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0013
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0074 0.274 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0568 0.0702
Echinococcus multilocularis protein jagged 2 0.0022 0.0013 0.0013
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0979 0.246
Brugia malayi hypothetical protein 0.004 0.0963 0.0963
Brugia malayi hypothetical protein 0.004 0.0963 0.0963
Loa Loa (eye worm) hypothetical protein 0.004 0.0963 0.0963
Brugia malayi Sushi domain 0.004 0.0963 0.0963
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0979 0.246
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0074 0.274 0.1819
Schistosoma mansoni notch 0.0022 0.0013 0.0013
Plasmodium falciparum thioredoxin reductase 0.0215 1 1
Loa Loa (eye worm) glutathione reductase 0.0215 1 1
Trichomonas vaginalis glutathione reductase, putative 0.0074 0.274 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.1698 0.1651
Echinococcus multilocularis notch 0.0022 0.0013 0.0013
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0074 0.274 0.5
Loa Loa (eye worm) notch protein 0.0022 0.0013 0.0013
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0074 0.274 0.1819
Brugia malayi hypothetical protein 0.004 0.0963 0.0963
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.1698 0.1651
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0568 0.0702
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0013
Toxoplasma gondii rhoptry neck protein RON1 0.004 0.0963 0.0952
Brugia malayi EGF-like domain containing protein 0.0022 0.0013 0.0013
Plasmodium falciparum glutathione reductase 0.0215 1 1
Schistosoma mansoni hypothetical protein 0.0022 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.1124 0.308
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.1698 0.5
Echinococcus multilocularis neuroglian 0.0027 0.0283 0.0283
Brugia malayi EGF-like domain containing protein 0.0022 0.0013 0.0013
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0074 0.274 0.1819
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0551 0.0631
Schistosoma mansoni cell adhesion molecule 0.0028 0.0362 0.0362
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0074 0.274 0.1966
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0074 0.274 0.1819
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0022 0.0013 0.0013
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0074 0.274 0.1966
Echinococcus multilocularis thioredoxin glutathione reductase 0.0215 1 1
Onchocerca volvulus 0.004 0.0963 1
Plasmodium vivax glutathione reductase, putative 0.0215 1 1
Schistosoma mansoni hypothetical protein 0.0022 0.0013 0.0013
Brugia malayi Muscle positioning protein 4 0.0022 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.004 0.0963 0.0963
Brugia malayi Immunoglobulin I-set domain containing protein 0.0028 0.0362 0.0362
Echinococcus multilocularis fat cadherin tumor suppressor 0.0022 0.0013 0.0013
Schistosoma mansoni notch 0.0022 0.0013 0.0013
Echinococcus granulosus protein jagged 2 0.0022 0.0013 0.0013
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0074 0.274 0.1966
Schistosoma mansoni cell polarity protein 0.0022 0.0013 0.0013
Schistosoma mansoni hypothetical protein 0.0022 0.0013 0.0013
Echinococcus granulosus neurogenic locus notch protein 4 0.0022 0.0013 0.0013
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.1698 0.0645
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.1698 0.1698
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0013
Plasmodium vivax thioredoxin reductase, putative 0.0215 1 1
Echinococcus granulosus C type lectin domian containing protein 0.004 0.0963 0.0963
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.1698 0.1698
Brugia malayi hypothetical protein 0.004 0.0963 0.0963
Echinococcus granulosus protein jagged 2 0.0022 0.0013 0.0013
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0074 0.274 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0979 0.246
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0568 0.0702
Toxoplasma gondii rhoptry neck protein RON9 0.004 0.0963 0.0952
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0406 0.001
Giardia lamblia NADH oxidase lateral transfer candidate 0.0074 0.274 1
Brugia malayi hypothetical protein 0.004 0.0963 0.0963
Echinococcus multilocularis protein jagged 1 0.0022 0.0013 0.0013
Onchocerca volvulus 0.004 0.0963 1
Echinococcus multilocularis c4b binding protein beta chain 0.004 0.0963 0.0963
Echinococcus granulosus c4b binding protein beta chain 0.004 0.0963 0.0963
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0074 0.274 0.1819
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0074 0.274 0.1819
Toxoplasma gondii NADPH-glutathione reductase 0.0074 0.274 0.2731
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0074 0.274 0.2699
Schistosoma mansoni laminin gamma-3 chain 0.0022 0.0013 0.0013
Onchocerca volvulus 0.004 0.0963 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.1698 0.554
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0713 0.1323
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0074 0.274 0.1819
Brugia malayi pregnancy-associated plasma protein-A 0.004 0.0963 0.0963
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0074 0.274 0.274
Loa Loa (eye worm) thioredoxin reductase 0.0215 1 1
Schistosoma mansoni notch 0.0022 0.0013 0.0013
Treponema pallidum NADH oxidase 0.0074 0.274 0.5
Schistosoma mansoni hypothetical protein 0.0022 0.0013 0.0013
Plasmodium falciparum glutathione reductase 0.0074 0.274 0.1966
Echinococcus granulosus thioredoxin glutathione reductase 0.0215 1 1
Giardia lamblia GTOR 0.0054 0.1698 0.618
Echinococcus granulosus protein jagged 1 0.0022 0.0013 0.0013
Echinococcus granulosus fibropellin Ia 0.0022 0.0013 0.0013
Schistosoma mansoni c4b-binding protein beta chain 0.004 0.0963 0.0963
Echinococcus granulosus neurogenic locus notch protein 0.0022 0.0013 0.0013
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.1698 0.1698
Schistosoma mansoni notch 0.0022 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0406 0.001
Echinococcus multilocularis neurogenic locus notch protein 0.0022 0.0013 0.0013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.1698 0.554
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0074 0.274 0.1819
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0022 0.0013 0.0013
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0215 1 1
Onchocerca volvulus 0.004 0.0963 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0055 0.1718 0.1718
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0074 0.274 0.5
Brugia malayi EGF-like domain containing protein 0.0022 0.0013 0.0013
Echinococcus multilocularis neurogenic locus notch protein 0.0022 0.0013 0.0013
Brugia malayi Cadherin domain containing protein 0.0022 0.0013 0.0013
Brugia malayi EGF-like domain containing protein 0.0022 0.0013 0.0013
Onchocerca volvulus 0.004 0.0963 1
Echinococcus multilocularis slit 2 protein 0.0022 0.0013 0.0013
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0074 0.274 0.274
Schistosoma mansoni hypothetical protein 0.0022 0.0013 0.0013
Onchocerca volvulus 0.004 0.0963 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.1124 0.308
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0074 0.274 0.2699
Toxoplasma gondii thioredoxin reductase 0.0215 1 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0013
Brugia malayi Calcium binding EGF domain containing protein 0.0022 0.0013 0.0013
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0074 0.274 0.274
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.1698 0.5
Brugia malayi EGF-like domain containing protein 0.0022 0.0013 0.0013
Onchocerca volvulus 0.004 0.0963 1
Brugia malayi EGF-like domain containing protein 0.0022 0.0013 0.0013
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0074 0.274 0.1819
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0074 0.274 0.2731
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0074 0.274 0.1819
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0074 0.274 0.2699
Echinococcus granulosus delta-like protein 1 0.0022 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0034 0.0645 0.0645
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.004 0.0963 0.0963
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0979 0.246
Schistosoma mansoni hypothetical protein 0.0022 0.0013 0.0013
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0074 0.274 0.5
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.1698 0.0645
Trypanosoma cruzi trypanothione reductase, putative 0.0215 1 1
Echinococcus granulosus neurogenic locus protein delta 0.0022 0.0013 0.0013
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.0218 0.0163
Schistosoma mansoni nephrin 0.0027 0.0283 0.0283
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0013

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 240 nM BindingDB_Patents: Alternative Enzyme Assay. The assay used AlphaScreen technology (Gray et al., Analytical Biochemistry, 2003, 313: 234-245) to determine the ability of test compounds to inhibit phosphorylation by recombinant mTOR.Test compounds were prepared as 10 mM stock solutions in DMSO and diluted into water as required to give a range of final assay concentrations. Aliquots (2 ul) of each compound dilution were placed into a well of a Greiner 384-well low volume (LV) white polystyrene plate (Greiner Bio-one). A 10 ul mixture of recombinant purified mTOR enzyme, 1 uM biotinylated peptide substrate (Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-Pro-Ser-Val-Leu-Glu-Ser-Val-Lys-Glu-NH2; Bachem UK Ltd), ATP (20 uM) in a buffer solution [comprising Tris-HCl pH7.4 buffer (50 mM), EGTA (0.1 mM), bovine serum albumin (0.5 mg/ml), DTT (1.25 mM) and manganese chloride (10 mM)] were added to the assay plates and incubated with compound for 2 hours at room temperature. 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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