Detailed information for compound 1662732

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 337.376 | Formula: C18H19N5O2
  • H donors: 1 H acceptors: 4 LogP: 1.97 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cn1)c1cc2c(C)nc(nc2n(c1=O)C1CCC1)N
  • InChi: 1S/C18H19N5O2/c1-10-13-8-14(11-6-7-15(25-2)20-9-11)17(24)23(12-4-3-5-12)16(13)22-18(19)21-10/h6-9,12H,3-5H2,1-2H3,(H2,19,21,22)
  • InChiKey: MQXZSHNTUSGCLH-UHFFFAOYSA-N  


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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 No references
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL References
Mus musculus phosphatidylinositol 3-kinase, catalytic, alpha polypeptide Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), 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
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
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein Get druggable targets OG5_127212 All targets in OG5_127212
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
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase Get druggable targets OG5_127444 All targets in OG5_127444
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 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 mexicana 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
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
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
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 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
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative 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
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 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
Leishmania braziliensis 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
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 cruzi Phosphatidylinositol 3-kinase tor2 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
Schistosoma japonicum 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 frameshifted from upsteam TOR2 CDS (CaP19.9461) 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
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
Trichomonas vaginalis PIKK family atypical protein kinase 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 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
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
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) 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
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) hypothetical protein 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
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
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide Get druggable targets OG5_127444 All targets in OG5_127444
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
Leishmania major target of rapamycin (TOR) kinase 1, putative 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
Neospora caninum Phosphatidylinositol 3-kinase tor2, related 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
Toxoplasma gondii target of rapamycin (TOR), 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
Trypanosoma brucei phosphatidylinositol 3-kinase tor, 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
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
Loa Loa (eye worm) phosphatidylinositol 3 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
Leishmania mexicana phosphatidylinositol 3-kinase, putative 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 phosphatidylinositol 3-kinase catalytic subunit gamma, 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 phosphatidylinositol 3-kinase class, putative Get druggable targets OG5_127444 All targets in OG5_127444
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 phosphatidylinositol kinase, 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
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
Entamoeba histolytica phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative Get druggable targets OG5_127444 All targets in OG5_127444
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative Get druggable targets OG5_127444 All targets in OG5_127444
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase Get druggable targets OG5_127444 All targets in OG5_127444
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 3-kinase, catalytic, alpha polypeptide 1068 aa 927 aa 29.0 %
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
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0087 0.0912 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0265 0.0191
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.024 0.3313 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0157 0.2001 0.2253
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0281 0.0634
Trypanosoma cruzi UDP-galactopyranose mutase 0.0087 0.0912 0.2585
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0083 0.0835 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0106 0.0095
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0083 0.0835 0.0766
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0061 0.0499 0.507
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0281 0.0634
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0499 0.131
Toxoplasma gondii histone lysine-specific demethylase 0.0087 0.0912 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.0374 0.0925
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0281 0.0634
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0061 0.0499 0.5977
Loa Loa (eye worm) hypothetical protein 0.0087 0.0912 0.1454
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0072 0.067 0.1838
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0281 0.0634
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0108 0.1241 0.3601
Loa Loa (eye worm) phosphatidylinositol 3 0.0061 0.0499 0.0737
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0087 0.0912 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0083 0.0835 0.2348
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0087 0.0912 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0325 0.0771
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0448 0.6592 0.6566
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.024 0.3313 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.005 0.0325 0.3894
Brugia malayi hypothetical protein 0.0087 0.0912 0.2585
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.024 0.3313 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0106 0.0097
Loa Loa (eye worm) hypothetical protein 0.0087 0.0912 0.1454
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0325 0.0771
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0061 0.0499 0.507
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0265 0.0191
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0156 0.0249
Loa Loa (eye worm) hypothetical protein 0.0087 0.0912 0.1454
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0265 0.0329
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0166 0.2147 0.6399
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0061 0.0499 0.131
Trypanosoma cruzi UDP-galactopyranose mutase 0.0087 0.0912 0.2585
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0499 0.131
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0265 0.0222
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0156 0.0249
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.024 0.3313 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0106 0.0097
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0281 0.0634
Loa Loa (eye worm) phosphatidylinositol 3 0.0072 0.067 0.1034
Plasmodium vivax hypothetical protein, conserved 0.0087 0.0912 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0265 0.0191
Giardia lamblia GTOR 0.0061 0.0499 0.0418
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.024 0.3313 1
Trypanosoma cruzi target of rapamycin kinase 3 0.005 0.0325 0.0773
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0061 0.0499 0.0428
Schistosoma mansoni amine oxidase 0.0087 0.0912 0.0843
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0265 0.0222
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0118 0.1387 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0325 0.0771
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0106 0.0095
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.024 0.3313 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0325 0.0771
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0166 0.2147 0.6399
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0448 0.6592 0.6566
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0281 0.0634
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0033 0.0049 0.0589
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.02 0.0385
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.024 0.3313 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0087 0.0912 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.0665 1 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0448 0.6592 0.7624
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0665 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0265 0.0191
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0157 0.2001 0.1941
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0061 0.0499 0.131
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0087 0.0912 1
Onchocerca volvulus 0.0087 0.0912 0.5
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0665 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0061 0.0499 0.131
Schistosoma mansoni hypothetical protein 0.0178 0.2334 0.2276
Echinococcus granulosus lysine specific histone demethylase 1A 0.0087 0.0912 0.0979
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0061 0.0499 0.0496
Echinococcus granulosus protoporphyrinogen oxidase 0.0577 0.8623 1
Echinococcus multilocularis 0.0087 0.0912 0.0843
Plasmodium vivax hypothetical protein, conserved 0.0087 0.0912 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0281 0.0634
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0083 0.0835 0.2348
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0157 0.2001 0.5949
Loa Loa (eye worm) phosphatidylinositol 3 0.04 0.5832 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.023 0.3148 0.9489
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0061 0.0499 0.0428
Entamoeba histolytica hypothetical protein 0.0192 0.2553 0.7652
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0087 0.0912 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0061 0.0499 0.5977
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0034 0.0075 0.0899
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0218 0.0442
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0106 0.0095
Echinococcus multilocularis geminin 0.0178 0.2334 0.2276
Leishmania major UDP-galactopyranose mutase 0.0087 0.0912 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.005 0.0325 0.299
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0083 0.0835 0.2348
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0151 0.0233
Schistosoma mansoni amine oxidase 0.0087 0.0912 0.0843
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0083 0.0835 0.2348
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0087 0.0912 0.0843
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.0577 0.8623 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0106 0.0097
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0665 1 0.5
Brugia malayi SWIRM domain containing protein 0.0087 0.0912 0.2585
Loa Loa (eye worm) hypothetical protein 0.0087 0.0912 0.1454
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0192 0.2553 0.7652
Echinococcus granulosus geminin 0.0178 0.2334 0.2643
Loa Loa (eye worm) hypothetical protein 0.0087 0.0912 0.1454
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0083 0.0835 0.2348
Loa Loa (eye worm) hypothetical protein 0.0083 0.0847 0.134
Echinococcus granulosus lysine specific histone demethylase 1A 0.0087 0.0912 0.0979
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0208 0.2814 0.8459
Schistosoma mansoni hypothetical protein 0.0178 0.2334 0.2276
Brugia malayi amine oxidase, flavin-containing family protein 0.0087 0.0912 0.2585
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0083 0.0835 0.2348
Loa Loa (eye worm) hypothetical protein 0.0087 0.0912 0.1454
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0061 0.0499 0.131
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0325 0.0771
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0265 0.0585
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0061 0.0499 0.131
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0265 0.0191
Loa Loa (eye worm) hypothetical protein 0.0157 0.2001 0.3346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0151 0.0233
Toxoplasma gondii target of rapamycin (TOR), putative 0.0047 0.0281 0.2455
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0087 0.0912 0.0843
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0156 0.0249
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0499 0.131
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0083 0.0835 0.2348
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0106 0.0097

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8.2 nM BindingDB_Patents: Biochemical Assay. Compounds of the present invention were evaluated for potency against PI3-Ka using an in vitro kinase assay. PI3-Ka activity is measured in vitro by determining the level of phosphorylation of the substrate PI(4,5)P2. The formation of product PI(3,4,5)P3 is monitored by binding to the Grip1 PH domain in a ligand displacement fluorescence polarization (FP) assay, in which the TAMRA-labeled PI(3,4,5)P3 complexed with Grip1 PH domain is displaced by PI(3,4,5)P3 formed in the PI3-Ka reaction resulting in a decrease in FP signal. ChEMBL. No reference
IC50 (binding) = 8.2 nM BindingDB_Patents: Biochemical Assay. Compounds of the present invention were evaluated for potency against PI3-Ka using an in vitro kinase assay. PI3-Ka activity is measured in vitro by determining the level of phosphorylation of the substrate PI(4,5)P2. The formation of product PI(3,4,5)P3 is monitored by binding to the Grip1 PH domain in a ligand displacement fluorescence polarization (FP) assay, in which the TAMRA-labeled PI(3,4,5)P3 complexed with Grip1 PH domain is displaced by PI(3,4,5)P3 formed in the PI3-Ka reaction resulting in a decrease in FP signal. ChEMBL. No reference
Ki (binding) = 3.7 nM Inhibition of mouse PI3Kalpha ChEMBL. 22749419
Ki (binding) = 76.4 nM Inhibition of human mTOR ChEMBL. 22749419

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

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.