Detailed information for compound 1264480

Basic information

Technical information
  • TDR Targets ID: 1264480
  • Name: AK-918/41452493
  • MW: 475.491 | Formula: C30H21NO5
  • H donors: 0 H acceptors: 3 LogP: 4.92 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccco1)Oc1cccc(c1)N1C(=O)C2C(C1=O)(C)C1c3c(C2c2c1cccc2)cccc3
  • InChi: 1S/C30H21NO5/c1-30-25-21-12-4-2-10-19(21)24(20-11-3-5-13-22(20)25)26(30)27(32)31(29(30)34)17-8-6-9-18(16-17)36-28(33)23-14-7-15-35-23/h2-16,24-26H,1H3
  • InChiKey: LUHCXMNVFQYNMF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(15-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl 2-furoate
  • MLS000324463
  • SMR000164215
  • STK286459

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0458 0.0883 0.2519
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0567 0.111 0.1293
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.126 0.2562 0.7895
Schistosoma mansoni zinc finger protein 0.4135 0.8588 1
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.1037 0.2096 0.2096
Trichomonas vaginalis conserved hypothetical protein 0.0356 0.067 0.1701
Trichomonas vaginalis PIKK family atypical protein kinase 0.0232 0.0409 0.0846
Leishmania major phosphatidylinositol 3-kinase, putative 0.0376 0.0712 0.1609
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0567 0.111 0.1283
Loa Loa (eye worm) phosphatidylinositol 3 0.0458 0.0883 0.1019
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.4135 0.8588 0.8588
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0356 0.067 0.078
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1567 0.3205 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.0182 0.0201
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0376 0.0712 0.1839
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.289 0.5979 0.5979
Trichomonas vaginalis conserved hypothetical protein 0.0123 0.0182 0.0103
Trypanosoma cruzi glycerol uptake protein, putative 0.0356 0.067 0.1889
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0108 0.015 0.0164
Trichomonas vaginalis PIKK family atypical protein kinase 0.0253 0.0453 0.0993
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Schistosoma mansoni hypothetical protein 0.0108 0.015 0.0175
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.4135 0.8588 0.8588
Loa Loa (eye worm) MBOAT family protein 0.4135 0.8588 1
Echinococcus granulosus zinc finger protein 0.3779 0.7841 0.7841
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0108 0.015 0.0353
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0232 0.0409 0.0465
Echinococcus granulosus o acyltransferase membrane bound domain 0.0356 0.067 0.067
Entamoeba histolytica hypothetical protein, conserved 0.0356 0.067 0.1701
Loa Loa (eye worm) hypothetical protein 0.0356 0.067 0.077
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0108 0.015 0.1559
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0049 0.0047
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0108 0.015 0.1108
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.0326 1
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.026 0.0467 0.0467
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0108 0.015 0.0353
Schistosoma mansoni phosphatidylinositol 4-kinase 0.026 0.0467 0.0544
Trichomonas vaginalis PIKK family atypical protein kinase 0.0123 0.0182 0.0103
Schistosoma mansoni hypothetical protein 0.0145 0.0226 0.0264
Schistosoma mansoni hypothetical protein 0.0356 0.067 0.078
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1037 0.2096 0.2433
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0108 0.015 0.0164
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0376 0.0712 0.6311
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0108 0.015 0.1108
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0376 0.0712 0.1609
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0356 0.067 1
Loa Loa (eye worm) hypothetical protein 0.0232 0.0409 0.0465
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0567 0.111 0.3142
Trypanosoma cruzi GUP1, putative 0.0356 0.067 0.1889
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.1567 0.3205 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0567 0.111 0.3142
Loa Loa (eye worm) phosphatidylinositol 3 0.0108 0.015 0.0164
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Trichomonas vaginalis PIKK family atypical protein kinase 0.0232 0.0409 0.0846
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1567 0.3205 0.3726
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0356 0.067 0.067
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0108 0.015 0.015
Toxoplasma gondii hypothetical protein 0.0356 0.067 0.9367
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0415 0.0793 0.4509
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0376 0.0712 0.0829
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0356 0.067 0.067
Brugia malayi diacylglycerol acyltransferase 0.0356 0.067 0.077
Trichomonas vaginalis conserved hypothetical protein 0.0145 0.0226 0.025
Brugia malayi MBOAT family protein 0.4135 0.8588 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.0285 0.2355
Loa Loa (eye worm) hypothetical protein 0.006 0.0049 0.0047
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0108 0.015 0.1559
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0567 0.111 0.3142
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0061 0.0217
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0376 0.0712 0.2013
Echinococcus multilocularis 0.0108 0.015 0.015
Entamoeba histolytica hypothetical protein 0.0232 0.0409 0.0846
Echinococcus multilocularis Zinc finger, PHD finger 0.026 0.0467 0.0467
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Loa Loa (eye worm) hypothetical protein 0.1037 0.2096 0.2433
Brugia malayi MBOAT family protein 0.0356 0.067 0.077
Trichomonas vaginalis PIKK family atypical protein kinase 0.0232 0.0409 0.0846
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.026 0.0467 0.0467
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0356 0.067 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0108 0.015 0.015
Leishmania major glycerol uptake protein, putative 0.0356 0.067 0.1488
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0567 0.111 0.3142
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0376 0.0712 0.1609
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.026 0.0467 0.0467
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.1567 0.3205 1
Brugia malayi MBOAT family protein 0.0356 0.067 0.077
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0108 0.015 0.0353
Echinococcus multilocularis sterol O acyltransferase 1 0.0356 0.067 0.067
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0145 0.0226 0.0226
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.0687 0.194
Brugia malayi MBOAT family protein 0.0356 0.067 0.077
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0108 0.015 0.1559
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.073 0.1453 0.4265
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0145 0.0226 0.0226
Trichomonas vaginalis PIKK family atypical protein kinase 0.0232 0.0409 0.0846
Trypanosoma brucei glycerol uptake protein, putative 0.0356 0.067 0.5921
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Entamoeba histolytica protein kinase rad3, putative 0.0232 0.0409 0.0846
Echinococcus multilocularis zinc finger protein 0.3779 0.7841 0.7841
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0232 0.0409 0.3502
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.026 0.0467 0.0534
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.1567 0.3205 1
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0356 0.067 0.067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0376 0.0712 0.0712
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0049 0.0047
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0567 0.111 0.3142
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0108 0.015 0.015
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.1096 0.2219 0.6773
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0376 0.0712 0.6311
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0232 0.0409 0.1117
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0376 0.0712 0.0829
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0356 0.067 0.067
Leishmania major glycerol uptake protein, putative 0.0356 0.067 0.1488
Echinococcus granulosus o acyltransferase membrane bound domain 0.0356 0.067 0.067
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0376 0.0712 0.2013
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.026 0.0467 0.0908
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Trichomonas vaginalis PIKK family atypical protein kinase 0.0232 0.0409 0.0846
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0376 0.0712 0.2013
Giardia lamblia GTOR 0.0376 0.0712 0.3939
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0123 0.0182 0.0446
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0376 0.0712 0.1609
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0356 0.067 0.1701
Trichomonas vaginalis conserved hypothetical protein 0.0253 0.0453 0.0993
Leishmania major glycerol uptake protein, putative 0.0356 0.067 0.1488
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0376 0.0712 0.6311
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0356 0.067 0.9367
Brugia malayi FAT domain containing protein 0.0145 0.0226 0.0253
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0108 0.015 0.0353
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0253 0.0453 0.3917
Trypanosoma brucei glycerol uptake protein, putative 0.0356 0.067 0.5921
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0108 0.015 0.1108
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0376 0.0712 0.1609
Echinococcus granulosus o acyltransferase membrane bound domain 0.0356 0.067 0.067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Loa Loa (eye worm) phosphatidylinositol 3 0.0376 0.0712 0.0819
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0376 0.0712 0.0712
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.026 0.0467 0.1037
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0049 0.0047
Loa Loa (eye worm) phosphatidylinositol 3 0.0108 0.015 0.0164
Trichomonas vaginalis PIKK family atypical protein kinase 0.0232 0.0409 0.0846
Loa Loa (eye worm) phosphatidylinositol 3 0.0108 0.015 0.0164
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0356 0.067 0.1701
Leishmania major hypothetical protein, conserved 0.0356 0.067 0.1488
Entamoeba histolytica hypothetical protein 0.0356 0.067 0.1701
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0356 0.067 0.078
Toxoplasma gondii FATC domain-containing protein 0.0232 0.0409 0.5443
Schistosoma mansoni hypothetical protein 0.0041 0.0009 0.0011
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.026 0.0467 0.0534
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.026 0.0467 0.1037
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0232 0.0409 0.0465
Loa Loa (eye worm) phosphatidylinositol 3 0.0376 0.0712 0.0819
Loa Loa (eye worm) phosphatidylinositol kinase 0.0108 0.015 0.0164
Entamoeba histolytica hypothetical protein 0.126 0.2562 0.7895
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.026 0.0467 0.6322
Schistosoma mansoni sterol O-acyltransferase 1 0.0356 0.067 0.078
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0356 0.067 0.078
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0376 0.0712 0.0712
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0232 0.0409 0.0409
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1567 0.3205 0.9381
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.0285 0.0751
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.289 0.5979 0.6962
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.026 0.0467 0.129
Loa Loa (eye worm) hypothetical protein 0.0356 0.067 0.077
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0356 0.067 0.067
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0376 0.0712 0.0712
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1567 0.3205 0.9381
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0108 0.015 0.015
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.1458 0.2978 0.9257
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0108 0.015 0.0175
Echinococcus granulosus serine protein kinase ATM 0.0232 0.0409 0.0409
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.4809 1 1
Loa Loa (eye worm) MBOAT family protein 0.0356 0.067 0.077
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0108 0.015 0.015
Echinococcus granulosus tumor protein p63 0.0408 0.0778 0.0778
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0376 0.0712 0.1839
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.1324 0.2696 0.3132
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0108 0.015 0.0164
Trichomonas vaginalis PIKK family atypical protein kinase 0.0232 0.0409 0.0846
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0232 0.0409 0.0476
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0054 0.0069
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0356 0.067 0.077
Loa Loa (eye worm) hypothetical protein 0.006 0.0048 0.0045
Loa Loa (eye worm) MBOAT family protein 0.0356 0.067 0.077
Onchocerca volvulus 0.0356 0.067 1
Loa Loa (eye worm) hypothetical protein 0.0356 0.067 0.077
Trichomonas vaginalis conserved hypothetical protein 0.0356 0.067 0.1701
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0077 0.009
Trypanosoma cruzi glycerol uptake protein, putative 0.0356 0.067 0.1889
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.026 0.0467 0.129
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0232 0.0409 0.0846
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0356 0.067 0.078
Echinococcus granulosus sterol O acyltransferase 1 0.0356 0.067 0.067
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.0285 0.0386
Mycobacterium ulcerans hypothetical protein 0.0192 0.0326 0.5
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0376 0.0712 0.2013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.026 0.0467 0.6099
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Loa Loa (eye worm) hypothetical protein 0.0529 0.1032 0.1193
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0376 0.0712 0.6311
Trichomonas vaginalis transmembrane protein nessy, putative 0.0356 0.067 0.1701
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0232 0.0409 0.0409
Entamoeba histolytica vacuolar protein sorting 26 0.0356 0.067 0.1701
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0376 0.0712 0.6311
Onchocerca volvulus 0.0108 0.015 0.1639
Trypanosoma cruzi target of rapamycin kinase 3 0.0376 0.0712 0.2013
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0232 0.0409 0.1117
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0356 0.067 0.077
Brugia malayi Hhat protein 0.0356 0.067 0.077
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0356 0.067 0.078
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0108 0.015 0.0175
Brugia malayi MBOAT family protein 0.0356 0.067 0.077
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.1037 0.2096 0.2096
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.026 0.0467 0.1037
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.0687 0.1538
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0356 0.067 0.1701
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Toxoplasma gondii target of rapamycin (TOR), putative 0.0376 0.0712 1
Loa Loa (eye worm) hypothetical protein 0.0356 0.067 0.077
Mycobacterium leprae conserved hypothetical protein 0.0108 0.015 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0253 0.0453 0.6116
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.026 0.0467 0.0544
Echinococcus multilocularis tumor protein p63 0.0408 0.0778 0.0778
Trichomonas vaginalis PIKK family atypical protein kinase 0.0232 0.0409 0.0846
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Echinococcus multilocularis serine protein kinase ATM 0.0232 0.0409 0.0409
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0356 0.067 0.067
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0356 0.067 0.067
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0108 0.015 0.0175
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0376 0.0712 0.0819
Schistosoma mansoni fkbp-rapamycin associated protein 0.0232 0.0409 0.0476
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Treponema pallidum alginate O-acetylation protein (algI) 0.0356 0.067 0.5
Trypanosoma cruzi GUP1, putative 0.0356 0.067 0.1889
Plasmodium falciparum phosphatidylinositol 3-kinase 0.026 0.0467 0.6099
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0356 0.067 0.078
Leishmania major glycerol uptake protein, putative 0.0356 0.067 0.1488
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0567 0.111 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.0687 0.6083
Trichomonas vaginalis conserved hypothetical protein 0.0356 0.067 0.1701
Leishmania major glycerol uptake protein, putative 0.0356 0.067 0.1488
Loa Loa (eye worm) hypothetical protein 0.0145 0.0226 0.0253
Loa Loa (eye worm) hypothetical protein 0.0108 0.015 0.0164
Trypanosoma cruzi glycerol uptake protein, putative 0.0356 0.067 0.1889
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.289 0.5979 0.5979
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.026 0.0467 0.1037
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0356 0.067 0.067
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0567 0.111 0.319
Trichomonas vaginalis porcupine, putative 0.0356 0.067 0.1701
Loa Loa (eye worm) hhat protein 0.0356 0.067 0.077
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0356 0.067 0.067
Leishmania major hypothetical protein, conserved 0.1775 0.3642 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.026 0.0467 0.6322
Loa Loa (eye worm) phosphatidylinositol 3 0.0108 0.015 0.0164
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0356 0.067 0.067
Onchocerca volvulus 0.0108 0.015 0.1639
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Loa Loa (eye worm) phosphatidylinositol 3 0.2583 0.5336 0.6209
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.026 0.0467 0.4043
Loa Loa (eye worm) hhat protein 0.0356 0.067 0.077
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.1096 0.2219 0.6773
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.0712 0.1839
Trypanosoma cruzi hypothetical protein, conserved 0.1667 0.3415 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0789 0.1576 1
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0356 0.067 0.067
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0048 0.0056
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0376 0.0712 0.0819
Loa Loa (eye worm) hypothetical protein 0.0253 0.0453 0.0518
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0356 0.067 0.9367
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.026 0.0467 0.1037
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0108 0.015 0.0353
Leishmania major phosphatidylinositol 3-kinase, putative 0.026 0.0467 0.0908
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.0687 0.194

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.2239 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3535 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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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