Detailed information for compound 1164429

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1030.29 | Formula: C56H87NO16
  • H donors: 4 H acceptors: 10 LogP: 5.55 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CO[C@@H]1C[C@@H](CC[C@H]1OC(=O)C(CO)(CO)C)C[C@H]([C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](OC)/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C1)C)/C)O)OC)C)C)/C)C
  • InChi: 1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1
  • InChiKey: CBPNZQVSJQDFBE-FUXHJELOSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Leishmania donovani Phosphatidylinositol 3-kinase tor1 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
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), 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
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative 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
Loa Loa (eye worm) hypothetical protein 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
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
Leishmania donovani 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
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
Echinococcus granulosus 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
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
Neospora caninum Phosphatidylinositol 3-kinase tor2, related 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
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
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 gambiense phosphatidylinositol 3-kinase tor, 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
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 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
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
Leishmania infantum target of rapamycin (TOR) kinase 2, 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
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 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
Brugia malayi Phosphatidylinositol 3- and 4-kinase family 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
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
Trichomonas vaginalis PIKK family atypical protein kinase 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 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
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
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 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
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative 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 mexicana phosphatidylinositol 3 kinase, putative 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
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia GTOR 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
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, 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
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 granulosus caspase 8 0.0051 0.0145 0.0086
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0104 0.556
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0051 0.0145 0.0111
Schistosoma mansoni hypothetical protein 0.0048 0.0127 0.0068
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0145 0.8829
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0749 0.3648 0.3626
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0145 0.8829
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0051 0.0145 0.0111
Toxoplasma gondii hypothetical protein 0.0031 0.0044 0.001
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0043 0.0102 0.0044
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0043 0.0102 0.0044
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0051 0.0145 0.8829
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.0089 0.0056
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0091 0.0343 0.031
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0145 0.8829
Echinococcus multilocularis peptidase Clp (S14 family) 0.0059 0.0186 0.0127
Brugia malayi Integrin alpha pat-2 precursor 0.0071 0.0246 0.0213
Plasmodium vivax metacaspase 1, putative 0.0051 0.0145 0.3591
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0043 0.0102 0.0069
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0051 0.0145 0.8829
Echinococcus granulosus apoptotic protease activating factor 1 0.0048 0.0127 0.0068
Giardia lamblia GTOR 0.0054 0.0159 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0091 0.0343 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0159 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0091 0.0343 0.031
Echinococcus granulosus geminin 0.0164 0.0709 0.0654
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0043 0.0102 0.0069
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0043 0.0102 0.0044
Echinococcus multilocularis caspase 3 0.0084 0.0311 0.0253
Echinococcus multilocularis integrin alpha ps 0.0071 0.0246 0.0188
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0104 0.556
Echinococcus multilocularis geminin 0.0164 0.0709 0.0654
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0102 0.5462
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0145 0.8829
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0051 0.0145 0.0086
Echinococcus multilocularis caspase 2 0.0099 0.0385 0.0328
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0043 0.0102 0.0069
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.0159 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0051 0.0145 0.8829
Loa Loa (eye worm) hypothetical protein 0.0051 0.0145 0.0111
Echinococcus granulosus caspase 0.0136 0.0568 0.0513
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0145 0.8829
Trypanosoma cruzi metacaspase 5, putative 0.0051 0.0145 0.0111
Schistosoma mansoni hypothetical protein 0.0164 0.0709 0.0654
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0031 0.0044 0.0328
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0059 0.0186 0.4744
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0099 0.0385 0.0352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.007 0.2856
Brugia malayi hypothetical protein 0.0048 0.0127 0.0094
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0043 0.0102 0.5462
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.0159 0.0126
Schistosoma mansoni hypothetical protein 0.0164 0.0709 0.0654
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0091 0.0343 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0034 0.0018
Echinococcus granulosus peptidase Clp S14 family 0.0059 0.0186 0.0127
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0145 0.8829
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.0159 0.0126
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0059 0.0186 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0048 0.1138
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0089 0.444
Trypanosoma brucei metacaspase 0.0051 0.0145 0.0145
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0136 0.0568 0.0513
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0037 0.0074 0.004
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0091 0.0343 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.0104 0.0104
Echinococcus multilocularis ubiquitin specific protease 41 0.0043 0.0102 0.0044
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0034 0.0018
Echinococcus multilocularis apoptotic protease activating factor 1 0.0048 0.0127 0.0068
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0089 0.444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0119 0.6827
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0136 0.0568 0.0513
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0091 0.0343 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0034 0.0018
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0043 0.0102 0.0044
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.0159 0.0101
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0091 0.0343 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.0159 0.0126
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0043 0.0102 0.0044
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0051 0.0145 0.8829
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.0159 0.0126
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0927 0.454 0.4507
Trypanosoma cruzi metacaspase, putative 0.0051 0.0145 0.0111
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0043 0.0102 0.5462
Trypanosoma brucei fructose-1,6-bisphosphatase 0.2014 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0104 0.556
Echinococcus granulosus integrin alpha ps 0.0071 0.0246 0.0188
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0749 0.3648 0.3626
Loa Loa (eye worm) hypothetical protein 0.0048 0.0127 0.0094
Loa Loa (eye worm) hypothetical protein 0.0037 0.0074 0.004
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0051 0.0145 0.8829
Schistosoma mansoni integrin alpha-ps 0.0037 0.0074 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0089 0.444
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0043 0.0102 0.0102
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0104 0.556
Echinococcus multilocularis caspase 0.0136 0.0568 0.0513
Trypanosoma brucei Metacaspase-4 0.0051 0.0145 0.0145
Schistosoma mansoni integrin alpha-ps 0.0071 0.0246 0.0188
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0059 0.0186 0.5
Leishmania major metacaspase, putative 0.0051 0.0145 0.0111
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0749 0.3648 0.3648
Schistosoma mansoni caspase-7 (C14 family) 0.0136 0.0568 0.0513
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0031 0.0044 0.0328
Plasmodium falciparum metacaspase-like protein 0.0051 0.0145 0.3591
Brugia malayi Cell death protein 3 precursor 0.0099 0.0385 0.0352
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.2014 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0064 0.2387
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.2014 1 1
Echinococcus granulosus caspase 3 0.0084 0.0311 0.0253
Trypanosoma brucei metacaspase 5, putative 0.0051 0.0145 0.0145
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0043 0.0104 0.007
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0089 0.444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0159 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.0159 0.0126
Echinococcus granulosus fructose 16 bisphosphatase 1 0.2014 1 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0051 0.0145 0.8829
Schistosoma mansoni integrin alpha 0.0071 0.0246 0.0188
Trypanosoma cruzi metacaspase, putative 0.0051 0.0145 0.0111
Brugia malayi Probable ClpP-like protease 0.0091 0.0343 0.031
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0089 0.444
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.0159 0.0126
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0091 0.0343 1
Onchocerca volvulus Cell death protein 3 homolog 0.0099 0.0385 1
Trypanosoma cruzi metacaspase 5, putative 0.0051 0.0145 0.0111
Plasmodium falciparum metacaspase 1 0.0051 0.0145 0.3591
Echinococcus granulosus caspase 2 0.0099 0.0385 0.0328
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0091 0.0343 0.5
Trypanosoma brucei metacaspase MCA3 0.0051 0.0145 0.0145
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.005 0.1267
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0089 0.444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.005 0.1267
Echinococcus multilocularis caspase 8 0.0051 0.0145 0.0086
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0043 0.0102 0.0044
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0051 0.0145 0.0111
Trypanosoma brucei metacaspase MCA2 0.0051 0.0145 0.0145
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0051 0.0145 0.8829
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.0159 0.0101
Toxoplasma gondii fructose-bisphospatase II 0.2014 1 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.0343 0.031
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0091 0.0343 0.0285
Echinococcus granulosus ubiquitin specific protease 41 0.0043 0.0102 0.0044
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.0159 0.0159
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.0159 0.0101
Schistosoma mansoni fructose-16-bisphosphatase-related 0.2014 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.0159 0.0159
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2014 1 1
Trypanosoma cruzi metacaspase, putative 0.0051 0.0145 0.0111
Loa Loa (eye worm) integrin alpha pat-2 0.0071 0.0246 0.0213
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0104 0.556
Loa Loa (eye worm) hypothetical protein 0.0034 0.0059 0.0025
Leishmania major 0.2014 1 1
Toxoplasma gondii fructose-bisphospatase I 0.0749 0.3648 0.3626
Loa Loa (eye worm) hypothetical protein 0.0043 0.0102 0.0069
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0051 0.0145 0.0111
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0051 0.0145 0.8829
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0159 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0043 0.0102 0.0069
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0034 0.0059 0.0025
Plasmodium vivax hypothetical protein, conserved 0.0051 0.0145 0.3591
Trypanosoma cruzi metacaspase, putative 0.0051 0.0145 0.0111
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0091 0.0343 0.5
Schistosoma mansoni peptidase Clp (S14 family) 0.0091 0.0343 0.0285
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0091 0.0343 0.0285
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0048 0.1138
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0051 0.0145 0.8829
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0034 0.0018
Loa Loa (eye worm) hypothetical protein 0.0034 0.0059 0.0025
Schistosoma mansoni caspase-3 (C14 family) 0.0136 0.0568 0.0513
Schistosoma mansoni caspase-7 (C14 family) 0.0099 0.0385 0.0328
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0749 0.3648 0.3626
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.0159 1
Echinococcus multilocularis integrin alpha ps 0.0071 0.0246 0.0188
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0089 0.444
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0091 0.0343 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.005 0.1267
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2014 1 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0043 0.0104 0.007

Activities

Activity type Activity value Assay description Source Reference
F (ADMET) = 1.5 % Oral bioavailability in cancer patient at 75 mg, qd administered 5 days for every 2 weeks ChEMBL. 24044773
GI50 (functional) -9.702 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) -8.596 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) -8.305 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) -8.3 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) -8.217 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) -8.141 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) -8.059 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) -7.101 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) -7.011 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) -5.565 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) -5.395 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
IC50 (functional) = 0.0005 uM Antiproliferative activity against human LNCAP cells after 3 days by MTS assay ChEMBL. 21438579
IC50 (functional) = 0.04102305718429973 uM SANGER: Inhibition of human DOK cell growth in a cell viability assay. ChEMBL. No reference
IC50 (functional) = 0.35 uM Cytotoxicity against human A498 cells after 72 hrs by MTT assay ChEMBL. 25124114
IC50 (functional) = 0.5 uM Cytotoxicity against human A498 cells assessed as inhibition of cell viability after 6 days by MTT assay ChEMBL. 23360104
IC50 (binding) = 1.76 uM Inhibition of FKBP12-independent human recombinant mTOR expressed in HEK293 cells using His6-S6K1 as a substrate by DELFIA assay ChEMBL. 21438579
IC50 (functional) = 34.3 uM Cytotoxicity against human A498 cells after 72 hrs by MTT assay ChEMBL. 23489626

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21438579

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.