Detailed information for compound 1323760

Basic information

Technical information
  • TDR Targets ID: 1323760
  • Name: 3-chloro-4-(cyclohexylamino)-1-(phenylmethyl) pyrrole-2,5-dione
  • MW: 318.798 | Formula: C17H19ClN2O2
  • H donors: 1 H acceptors: 2 LogP: 3.82 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N(Cc2ccccc2)C(=O)C(=C1NC1CCCCC1)Cl
  • InChi: 1S/C17H19ClN2O2/c18-14-15(19-13-9-5-2-6-10-13)17(22)20(16(14)21)11-12-7-3-1-4-8-12/h1,3-4,7-8,13,19H,2,5-6,9-11H2
  • InChiKey: QXULVLRGWITVIC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(benzyl)-3-chloro-4-(cyclohexylamino)-3-pyrroline-2,5-quinone
  • EU-0005508
  • 1-benzyl-3-chloro-4-(cyclohexylamino)-1H-pyrrole-2,5-dione
  • MLS000723667
  • SMR000305262

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.0186 0.0114 0.0164
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0226 0.0327
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1702 0.3614 0.5221
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1223 0.2509 0.3625
Brugia malayi prolyl oligopeptidase family protein 0.0186 0.0114 0.0164
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0272 0.0312 0.157
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0155 0.0042 0.0042
Trichomonas vaginalis PIKK family atypical protein kinase 0.0272 0.0312 0.045
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0186 0.0114 0.0624
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.2708 0.5939 0.858
Entamoeba histolytica protein kinase rad3, putative 0.0155 0.0042 0.006
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.009 0.013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0226 0.0327
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0272 0.0312 0.0312
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0272 0.0312 0.1713
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0996 0.1985 0.2867
Entamoeba histolytica hypothetical protein, conserved 0.0186 0.0114 0.0164
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0155 0.0042 0.006
Trichomonas vaginalis PIKK family atypical protein kinase 0.0272 0.0312 0.045
Onchocerca volvulus Huntingtin homolog 0.0148 0.0026 0.0057
Trichomonas vaginalis PIKK family atypical protein kinase 0.0224 0.0202 0.0292
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0155 0.0042 0.0042
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.4467 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0242 0.0243 0.0352
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0186 0.0114 0.0164
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0272 0.0312 0.045
Loa Loa (eye worm) hypothetical protein 0.1485 0.3114 0.3453
Loa Loa (eye worm) hypothetical protein 0.0148 0.0026 0.0028
Echinococcus multilocularis serine protein kinase ATM 0.0155 0.0042 0.0042
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.2772 0.6087 1
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0571 0.1002 0.1111
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0158 0.0049 0.0323
Echinococcus multilocularis expressed conserved protein 0.0402 0.0613 0.0613
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.2067 0.4458 0.4458
Echinococcus granulosus prolyl endopeptidase 0.0186 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.0321 0.0426 0.0473
Trichomonas vaginalis PIKK family atypical protein kinase 0.0155 0.0042 0.006
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0186 0.0114 0.0114
Trichomonas vaginalis PIKK family atypical protein kinase 0.0272 0.0312 0.045
Loa Loa (eye worm) hypothetical protein 0.1699 0.3608 0.4001
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0186 0.0114 0.0114
Trichomonas vaginalis PIKK family atypical protein kinase 0.0155 0.0042 0.006
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0272 0.0312 0.1713
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0272 0.0312 0.0312
Trypanosoma cruzi hypothetical protein, conserved 0.0186 0.0114 0.0164
Trichomonas vaginalis PIKK family atypical protein kinase 0.0205 0.0158 0.0229
Loa Loa (eye worm) prolyl oligopeptidase 0.0186 0.0114 0.0126
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0226 0.0327
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0226 0.0327
Toxoplasma gondii target of rapamycin (TOR), putative 0.0235 0.0226 0.1502
Toxoplasma gondii FATC domain-containing protein 0.0155 0.0042 0.0276
Brugia malayi hypothetical protein 0.0603 0.1077 0.1556
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0571 0.1002 0.1447
Loa Loa (eye worm) phosphatidylinositol 3 0.0176 0.009 0.01
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0571 0.1002 0.1447
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0176 0.009 0.009
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0272 0.0312 0.157
Entamoeba histolytica hypothetical protein 0.0155 0.0042 0.006
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0176 0.009 0.009
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.3134 0.6922 1
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.2772 0.6087 1
Brugia malayi SH2 domain containing protein 0.1677 0.3556 0.5137
Trypanosoma cruzi target of rapamycin kinase 3 0.0242 0.0244 0.0352
Entamoeba histolytica prolyl oligopeptidase family protein 0.0186 0.0114 0.0164
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.1699 0.3608 0.3608
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0996 0.1985 1
Trypanosoma brucei oligopeptidase b 0.0186 0.0114 0.0572
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.2772 0.6087 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0176 0.009 0.009
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0571 0.1002 0.1447
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0571 0.1002 0.1447
Loa Loa (eye worm) hypothetical protein 0.0603 0.1077 0.1194
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0571 0.1002 0.5047
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0859 0.1669 0.2411
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0242 0.0244 0.134
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0242 0.0244 0.1228
Trichomonas vaginalis PIKK family atypical protein kinase 0.0251 0.0263 0.038
Trichomonas vaginalis PIKK family atypical protein kinase 0.0242 0.0243 0.0352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0213 0.0176 0.0254
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.2067 0.4458 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1047 0.2101 0.3035
Trypanosoma cruzi hypothetical protein, conserved 0.0186 0.0114 0.0164
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.2772 0.6087 1
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0186 0.0114 0.0754
Brugia malayi prolyl oligopeptidase family protein 0.0186 0.0114 0.0164
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0186 0.0114 0.0164
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0186 0.0114 0.0114
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0272 0.0312 0.045
Schistosoma mansoni hypothetical protein 0.0372 0.0542 0.0542
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0925 0.1819 0.1819
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0571 0.1002 0.1002
Loa Loa (eye worm) phosphatidylinositol 3 0.4041 0.9017 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0242 0.0243 0.0352
Echinococcus multilocularis acylamino acid releasing enzyme 0.0186 0.0114 0.0114
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0571 0.1002 0.1645
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0186 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.0186 0.0114 0.0126
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0186 0.0114 0.0164
Schistosoma mansoni fkbp-rapamycin associated protein 0.0155 0.0042 0.0042
Trypanosoma cruzi oligopeptidase b 0.0186 0.0114 0.0164
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.2067 0.4458 0.4458
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0155 0.0042 0.0209
Plasmodium falciparum peptidase, putative 0.0186 0.0114 0.0187
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.2481 0.5414 0.7822
Brugia malayi prolyl oligopeptidase family protein 0.2067 0.4458 0.6441
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.2997 0.6606 0.9543
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0155 0.0042 0.006
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0272 0.0312 0.045
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0186 0.0114 0.0572
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0571 0.1002 0.6649
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0186 0.0114 0.0164
Onchocerca volvulus Prolyl endopeptidase homolog 0.0186 0.0114 0.0255
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.2772 0.6087 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0205 0.0158 0.0229
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0925 0.1819 0.1819
Leishmania major phosphatidylinositol 3-kinase, putative 0.0176 0.009 0.0496
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0925 0.1819 0.9166
Entamoeba histolytica prolyl oligopeptidase family protein 0.0186 0.0114 0.0164
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.3134 0.6922 1
Trichomonas vaginalis conserved hypothetical protein 0.0158 0.0049 0.007
Leishmania major phosphatidylinositol 3-kinase, putative 0.0571 0.1002 0.5506
Echinococcus multilocularis phosphatidylinositol 3 kinase regulatory subunit 0.0427 0.067 0.067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0195 0.0281
Giardia lamblia Alanyl dipeptidyl peptidase 0.0186 0.0114 0.0256
Entamoeba histolytica fatty acid elongase, putative 0.036 0.0515 0.0745
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.0542 0.0602
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0272 0.0312 0.045
Echinococcus granulosus acylamino acid releasing enzyme 0.0186 0.0114 0.0114
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0186 0.0114 0.0187
Mycobacterium tuberculosis Probable peptidase 0.0186 0.0114 0.0187
Trichomonas vaginalis PIKK family atypical protein kinase 0.0205 0.0158 0.0229
Giardia lamblia Alanyl dipeptidyl peptidase 0.0186 0.0114 0.0256
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.1699 0.3608 0.3608
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.009 0.013
Loa Loa (eye worm) phosphatidylinositol 3 0.0272 0.0312 0.0346
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0264 0.0293
Brugia malayi prolyl oligopeptidase family protein 0.0186 0.0114 0.0164
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0571 0.1002 0.1645
Onchocerca volvulus 0.0286 0.0345 0.0773
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0176 0.009 0.0455
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0226 0.0327
Trichomonas vaginalis PIKK family atypical protein kinase 0.0213 0.0176 0.0254
Trypanosoma brucei prolyl endopeptidase 0.0186 0.0114 0.0572
Giardia lamblia GTOR 0.0272 0.0312 0.0703
Echinococcus granulosus phosphatidylinositol 3 kinase regulatory subunit 0.0427 0.067 0.067
Echinococcus multilocularis prolyl endopeptidase 0.0186 0.0114 0.0114
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0571 0.1002 0.1447
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0571 0.1002 0.1002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0242 0.0243 0.0352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0214 0.0178 0.0257
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1049 0.2107 0.2107
Onchocerca volvulus Huntingtin homolog 0.0148 0.0026 0.0057
Loa Loa (eye worm) hypothetical protein 0.1677 0.3556 0.3944
Loa Loa (eye worm) hypothetical protein 0.0158 0.0049 0.0054
Entamoeba histolytica fatty acid elongase, putative 0.036 0.0515 0.0745
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0563 0.0983 0.2218
Trichomonas vaginalis set domain proteins, putative 0.0286 0.0345 0.0498
Trichomonas vaginalis PIKK family atypical protein kinase 0.0205 0.0158 0.0229
Echinococcus granulosus Dipeptidyl peptidase 9 0.0925 0.1819 0.1819
Toxoplasma gondii hypothetical protein 0.0186 0.0114 0.0754
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0186 0.0114 0.0164
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0925 0.1819 0.9166
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0996 0.1985 0.2867
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0155 0.0042 0.006
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0571 0.1002 0.1447
Entamoeba histolytica fatty acid elongase, putative 0.036 0.0515 0.0745
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0571 0.1002 0.1447
Echinococcus multilocularis Zinc finger, PHD finger 0.0571 0.1002 0.1002
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0996 0.1985 0.2867
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0155 0.0042 0.006
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0571 0.1002 0.1002
Entamoeba histolytica fatty acid elongase, putative 0.036 0.0515 0.0745
Brugia malayi hypothetical protein 0.0148 0.0026 0.0037
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0155 0.0042 0.0042
Echinococcus granulosus expressed conserved protein 0.0402 0.0613 0.0613
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.3134 0.6922 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.009 0.013
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.3134 0.6922 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0996 0.1985 0.2867
Trichomonas vaginalis PIKK family atypical protein kinase 0.0205 0.0158 0.0228
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0187 0.0117 0.0589
Trichomonas vaginalis PIKK family atypical protein kinase 0.0242 0.0243 0.0352
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.2056 0.4431 1
Echinococcus multilocularis snurportin 1 0.0372 0.0542 0.0542
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.3134 0.6922 1
Brugia malayi prolyl oligopeptidase family protein 0.0925 0.1819 0.2628
Leishmania major oligopeptidase b 0.0186 0.0114 0.0624
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0186 0.0114 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0214 0.0178 0.0257
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0186 0.0114 0.0164
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0186 0.0114 0.0624
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.2067 0.4458 0.4458
Loa Loa (eye worm) prolyl oligopeptidase 0.2067 0.4458 0.4944
Trichomonas vaginalis PIKK family atypical protein kinase 0.0155 0.0042 0.006
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0196 0.0136 0.0686
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0925 0.1819 0.2628
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0155 0.0042 0.006
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0176 0.009 0.0455
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0176 0.009 0.013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.009 0.013
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0996 0.1985 0.2867
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0272 0.0312 0.045
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0272 0.0312 0.0312
Loa Loa (eye worm) hypothetical protein 0.0148 0.0026 0.0028
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.2481 0.5414 0.7822
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0571 0.1002 0.6649
Brugia malayi Pre-SET motif family protein 0.0251 0.0264 0.0382
Trypanosoma brucei prolyl oligopeptidase, putative 0.0186 0.0114 0.0572
Entamoeba histolytica prolyl oligopeptidase family protein 0.0186 0.0114 0.0164
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.2772 0.6087 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0226 0.0327
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0571 0.1002 0.1002
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0176 0.009 0.013
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.1333 0.2762 0.3991
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0789 0.1506 1
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0571 0.1002 0.1002
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.3134 0.6922 1
Trypanosoma cruzi prolyl endopeptidase 0.0186 0.0114 0.0164
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0925 0.1819 0.2628
Entamoeba histolytica hypothetical protein 0.2708 0.5939 0.858
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.3134 0.6922 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0176 0.009 0.0496
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.4467 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0859 0.1669 0.185
Trichomonas vaginalis PIKK family atypical protein kinase 0.0166 0.0068 0.0098
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0186 0.0114 0.0572
Schistosoma mansoni hypothetical protein 0.0402 0.0613 0.0613
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0925 0.1819 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.009 0.013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0205 0.0158 0.0228
Loa Loa (eye worm) hypothetical protein 0.0186 0.0114 0.0126
Trichomonas vaginalis PIKK family atypical protein kinase 0.0214 0.0178 0.0257
Echinococcus granulosus serine protein kinase ATM 0.0155 0.0042 0.0042
Toxoplasma gondii prolyl endopeptidase 0.0186 0.0114 0.0754
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0996 0.1985 0.2867
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0571 0.1002 0.1447
Trichomonas vaginalis PIKK family atypical protein kinase 0.0205 0.0158 0.0228
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0226 0.0327
Plasmodium vivax hypothetical protein, conserved 0.0186 0.0114 0.0187
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.2772 0.6087 0.5
Entamoeba histolytica fatty acid elongase, putative 0.036 0.0515 0.0745
Trypanosoma cruzi oligopeptidase b 0.0186 0.0114 0.0164
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0176 0.009 0.013
Chlamydia trachomatis oxoacyl-ACP synthase III 0.2772 0.6087 0.5
Loa Loa (eye worm) hypothetical protein 0.0155 0.0042 0.0046
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0571 0.1002 0.5506
Echinococcus granulosus snurportin 1 0.0372 0.0542 0.0542

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (binding) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) 29.0929 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) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.
 
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

No literature references available for this target.

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