Detailed information for compound 1326006

Basic information

Technical information
  • TDR Targets ID: 1326006
  • Name: 1,1-bis(4-chlorophenyl)-2-[(4-methoxyphenyl)m ethylamino]ethanol
  • MW: 402.314 | Formula: C22H21Cl2NO2
  • H donors: 2 H acceptors: 1 LogP: 4.85 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CNCC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O
  • InChi: 1S/C22H21Cl2NO2/c1-27-21-12-2-16(3-13-21)14-25-15-22(26,17-4-8-19(23)9-5-17)18-6-10-20(24)11-7-18/h2-13,25-26H,14-15H2,1H3
  • InChiKey: BGVKRGSSHQCQDF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1,1-bis(4-chlorophenyl)-2-[(4-methoxybenzyl)amino]ethanol
  • Oprea1_232264
  • 1J-326S
  • 1,1-bis(4-chlorophenyl)-2-[(4-methoxybenzyl)amino]-1-ethanol
  • MLS000325709
  • SMR000169688

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Streptococcus pyogenes serotype M1 Streptokinase A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense nascent polypeptide associated complex alpha subunit, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania infantum basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania braziliensis basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, 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
Plasmodium falciparum basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium falciparum importin beta, 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
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) ICD-1 protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) 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
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major 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
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica hypothetical protein 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 mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium hominis NAC domain protein Get druggable targets OG5_127333 All targets in OG5_127333
Neospora caninum hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei 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
Brugia malayi Importin beta-1 subunit 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
Babesia bovis NAC domain containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum BTF domain, basal transcription factor Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K01527 nascent polypeptide-associated complex subunit beta, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium yoelii basic transcription factor 3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi beta-NAC-like protein Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii NAC domain-containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2696 1 1
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0254 0.0299 0.0299
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0254 0.0299 0.0299
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.0765 0.1566
Entamoeba histolytica hypothetical protein 0.0751 0.2272 0.6235
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0903 0.2878 0.2878
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0535 0.1414 0.4353
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0303 0.0494 0.0494
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0407 0.0904 0.2481
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0254 0.0299 0.0299
Trichomonas vaginalis PIKK family atypical protein kinase 0.0918 0.2935 0.6998
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0254 0.0299 0.0919
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0879 0.278 0.7629
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1235 0.4194 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0254 0.0299 0.0299
Schistosoma mansoni hypothetical protein 0.0372 0.0765 0.0765
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0483 0.1205 0.1205
Entamoeba histolytica hypothetical protein 0.0483 0.1205 0.3308
Schistosoma mansoni hypothetical protein 0.0356 0.0703 0.0703
Loa Loa (eye worm) hypothetical protein 0.0263 0.0333 0.0682
Trichomonas vaginalis PIKK family atypical protein kinase 0.1096 0.3644 0.8688
Echinococcus granulosus neuropeptide s receptor 0.0566 0.1535 0.1535
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0407 0.0904 0.0904
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0407 0.0904 0.0904
Toxoplasma gondii FATC domain-containing protein 0.0483 0.1205 0.371
Trichomonas vaginalis PIKK family atypical protein kinase 0.0661 0.1914 0.4564
Echinococcus multilocularis serine protein kinase ATM 0.0483 0.1205 0.1205
Trichomonas vaginalis PIKK family atypical protein kinase 0.0997 0.3249 0.7746
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1096 0.3644 0.8688
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.1561 0.549 0.549
Schistosoma mansoni hypothetical protein 0.0205 0.0101 0.0101
Trichomonas vaginalis PIKK family atypical protein kinase 0.0997 0.3249 0.7746
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0254 0.0299 0.0819
Loa Loa (eye worm) hypothetical protein 0.0641 0.1833 0.3753
Trichomonas vaginalis PIKK family atypical protein kinase 0.0641 0.1835 0.4374
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0903 0.2878 0.6861
Mycobacterium tuberculosis Conserved hypothetical protein 0.0179 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0839 0.262 0.6246
Loa Loa (eye worm) phosphatidylinositol 3 0.1235 0.4194 0.8588
Trichomonas vaginalis PIKK family atypical protein kinase 0.1235 0.4194 1
Schistosoma mansoni hypothetical protein 0.0205 0.0101 0.0101
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0407 0.0904 0.2156
Leishmania major phosphatidylinositol 3-kinase, putative 0.0254 0.0299 0.0712
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0407 0.0904 0.2481
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0254 0.0299 0.0919
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0483 0.1205 0.1205
Mycobacterium leprae conserved hypothetical protein 0.0179 0 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0751 0.2272 0.6235
Trichomonas vaginalis PIKK family atypical protein kinase 0.0839 0.262 0.6246
Loa Loa (eye worm) phosphatidylinositol 3 0.1408 0.4884 1
Echinococcus multilocularis neuropeptide s receptor 0.0566 0.1535 0.1535
Trichomonas vaginalis PIKK family atypical protein kinase 0.1017 0.3329 0.7936
Trichomonas vaginalis PIKK family atypical protein kinase 0.1017 0.3329 0.7936
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0641 0.1833 0.1833
Loa Loa (eye worm) hypothetical protein 0.0535 0.1414 0.2896
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1096 0.3644 0.3644
Trichomonas vaginalis PIKK family atypical protein kinase 0.1096 0.3644 0.8688
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0356 0.0703 0.0703
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1096 0.3644 0.3644
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0254 0.0299 0.0299
Echinococcus granulosus neuropeptide receptor A26 0.0566 0.1535 0.1535
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1096 0.3644 0.3644
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0254 0.0299 0.0712
Echinococcus multilocularis snurportin 1 0.0372 0.0765 0.0765
Trichomonas vaginalis PIKK family atypical protein kinase 0.0918 0.2934 0.6995
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0254 0.0299 0.0819
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0332 0.0606 0.1662
Onchocerca volvulus 0.0182 0.0013 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1017 0.3329 0.7936
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0254 0.0299 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1017 0.333 0.7939
Trichomonas vaginalis PIKK family atypical protein kinase 0.1017 0.3329 0.7936
Trichomonas vaginalis PIKK family atypical protein kinase 0.0938 0.3015 0.7187
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1235 0.4194 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1096 0.3644 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0839 0.262 0.6246
Trichomonas vaginalis PIKK family atypical protein kinase 0.0483 0.1205 0.2874
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0483 0.1205 0.1205
Echinococcus granulosus geminin 0.0205 0.0101 0.0101
Trichomonas vaginalis PIKK family atypical protein kinase 0.0483 0.1205 0.2874
Trichomonas vaginalis PIKK family atypical protein kinase 0.0714 0.2123 0.5062
Trypanosoma brucei C-8 sterol isomerase, putative 0.0373 0.077 0.1836
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0657 0.19 0.19
Loa Loa (eye worm) hypothetical protein 0.0373 0.077 0.1577
Trichomonas vaginalis PIKK family atypical protein kinase 0.1096 0.3644 0.8688
Trichomonas vaginalis PIKK family atypical protein kinase 0.0918 0.2935 0.6998
Trichomonas vaginalis PIKK family atypical protein kinase 0.1017 0.3329 0.7936
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0903 0.2878 0.6861
Trichomonas vaginalis PIKK family atypical protein kinase 0.0918 0.2934 0.6995
Trichomonas vaginalis PIKK family atypical protein kinase 0.0839 0.262 0.6246
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2696 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0407 0.0904 0.2156
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0407 0.0904 0.0904
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0254 0.0299 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0517 0.1343 0.3686
Trichomonas vaginalis PIKK family atypical protein kinase 0.0918 0.2935 0.6998
Trichomonas vaginalis PIKK family atypical protein kinase 0.0303 0.0494 0.1177
Echinococcus multilocularis geminin 0.0205 0.0101 0.0101
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0407 0.0904 0.2156
Trichomonas vaginalis PIKK family atypical protein kinase 0.0918 0.2934 0.6995
Trichomonas vaginalis PIKK family atypical protein kinase 0.0918 0.2935 0.6998
Trichomonas vaginalis PIKK family atypical protein kinase 0.0641 0.1835 0.4374
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2696 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0879 0.278 0.6628
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0254 0.0299 0.0712
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.067 0.1949 0.4647
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1096 0.3644 0.8688
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0356 0.0703 0.0703
Entamoeba histolytica protein kinase rad3, putative 0.0483 0.1205 0.3308
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1096 0.3644 0.8688
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1096 0.3644 0.3644
Trichomonas vaginalis PIKK family atypical protein kinase 0.0641 0.1835 0.4374
Schistosoma mansoni fkbp-rapamycin associated protein 0.0483 0.1205 0.1205
Trichomonas vaginalis PIKK family atypical protein kinase 0.0997 0.3249 0.7746
Loa Loa (eye worm) hypothetical protein 0.0396 0.0863 0.1766
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0615 0.173 0.4124
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0483 0.1205 0.1205
Giardia lamblia GTOR 0.1096 0.3644 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.0013 0.0027
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0641 0.1833 0.1833
Brugia malayi hypothetical protein 0.0182 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0191 0.0046 0.0093
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0483 0.1205 0.1205
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1096 0.3644 0.3644
Loa Loa (eye worm) hypothetical protein 0.0303 0.0494 0.101
Trichomonas vaginalis conserved hypothetical protein 0.0535 0.1414 0.3372
Trypanosoma cruzi target of rapamycin kinase 3 0.1017 0.333 0.333
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0488 0.1227 0.3368
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0254 0.0299 0.0712
Trichomonas vaginalis PIKK family atypical protein kinase 0.0997 0.3249 0.7746
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0441 0.1041 0.1041
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0483 0.1205 0.1205
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0373 0.077 0.077
Trichomonas vaginalis PIKK family atypical protein kinase 0.0997 0.3249 0.7746
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0228 0.0192 0.0192
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0483 0.1205 0.1205
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0254 0.0299 0.0712
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0407 0.0904 0.2156
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0338 0.0629 0.15
Trichomonas vaginalis PIKK family atypical protein kinase 0.0938 0.3015 0.7187
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1096 0.3644 0.3644
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0254 0.0299 0.0712
Loa Loa (eye worm) phosphatidylinositol 3 0.1096 0.3644 0.7461
Trichomonas vaginalis conserved hypothetical protein 0.0303 0.0494 0.1177
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0254 0.0299 0.0299
Loa Loa (eye worm) hypothetical protein 0.0356 0.0703 0.1438
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1561 0.549 0.549
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0903 0.2878 0.2878
Brugia malayi FAT domain containing protein 0.0356 0.0703 0.0703
Echinococcus multilocularis neuropeptide receptor A26 0.0566 0.1535 0.1535
Trichomonas vaginalis PIKK family atypical protein kinase 0.0258 0.0314 0.0749
Trichomonas vaginalis PIKK family atypical protein kinase 0.0997 0.3249 0.7746
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1096 0.3644 1
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0373 0.077 0.077
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0903 0.2878 0.2878
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0641 0.1833 0.1833
Echinococcus granulosus serine protein kinase ATM 0.0483 0.1205 0.1205
Toxoplasma gondii target of rapamycin (TOR), putative 0.0997 0.3249 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1096 0.3644 0.8688
Trichomonas vaginalis conserved hypothetical protein 0.0356 0.0703 0.1675
Leishmania major C-8 sterol isomerase-like protein 0.0373 0.077 0.1836
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0254 0.0299 0.0611
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2696 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0228 0.0192 0.0394
Echinococcus multilocularis Zinc finger, PHD finger 0.0254 0.0299 0.0299
Trichomonas vaginalis PIKK family atypical protein kinase 0.074 0.223 0.5316
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.067 0.1949 0.4647
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0903 0.2878 0.6861
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0441 0.1041 0.1041
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0254 0.0299 0.0299
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0254 0.0299 0.0299
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1017 0.333 0.7939
Loa Loa (eye worm) hypothetical protein 0.0483 0.1205 0.2468
Trichomonas vaginalis PIKK family atypical protein kinase 0.0839 0.262 0.6246
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0483 0.1205 0.2874
Leishmania major phosphatidylinositol 3-kinase, putative 0.0839 0.262 0.6246
Leishmania major hypothetical protein, conserved 0.0272 0.0369 0.088
Trichomonas vaginalis PIKK family atypical protein kinase 0.0997 0.3249 0.7746
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2696 1 1
Echinococcus granulosus snurportin 1 0.0372 0.0765 0.0765
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.1561 0.549 0.549
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0724 0.2166 0.5943
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0903 0.2878 0.7897
Loa Loa (eye worm) hypothetical protein 0.0396 0.0863 0.1766

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 3.509 um PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] ChEMBL. No reference
EC50 (functional) = 19.686 um PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)] ChEMBL. No reference
Potency (functional) 1.0418 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) 1.1689 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1095 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5131 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 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: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) 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) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 50.1187 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) 50.1187 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) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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) 89.1251 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum 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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