Detailed information for compound 1315253

Basic information

Technical information
  • TDR Targets ID: 1315253
  • Name: 1-(chloromethyl)-4-(2-chlorophenyl)-2,3,4,9-t etrahydro-1H-pyrido[3,4-b]indole
  • MW: 331.239 | Formula: C18H16Cl2N2
  • H donors: 2 H acceptors: 0 LogP: 4.19 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCC1NCC(c2c1[nH]c1c2cccc1)c1ccccc1Cl
  • InChi: 1S/C18H16Cl2N2/c19-9-16-18-17(12-6-2-4-8-15(12)22-18)13(10-21-16)11-5-1-3-7-14(11)20/h1-8,13,16,21-22H,9-10H2
  • InChiKey: KBLAGFGRWPUXJS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(chloromethyl)-4-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-$b-carboline
  • MLS000770433
  • SMR000343723
  • T0520-2884

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens peptidylprolyl cis/trans isomerase, NIMA-interacting 1 Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens RAN, member RAS oncogene family No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, 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 japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii peptidylprolyl isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) 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
Babesia bovis peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania infantum peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 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
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma congolense peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta 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
Neospora caninum peptidyl-prolyl cis-trans isomerase NIMA- interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis Importin beta-1 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
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania braziliensis peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K09578 peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii importin beta-1 subunit 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
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, 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
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative 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
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Importin beta-1 subunit 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
Schistosoma mansoni ran 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
Echinococcus multilocularis expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii 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_128723 All targets in OG5_128723
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
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
Plasmodium falciparum importin beta, 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
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni rotamase Get druggable targets OG5_128367 All targets in OG5_128367
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
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 %
Leishmania major peptidyl-prolyl cis-trans isomerase, putative peptidylprolyl cis/trans isomerase, NIMA-interacting 1 163 aa 133 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0107 0.0576 0.0572
Loa Loa (eye worm) hypothetical protein 0.0194 0.1249 0.1249
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0269 0.1826 0.1822
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0254 0.171 0.1662
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0449 0.3205 0.3166
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0118 0.0665 0.0611
Loa Loa (eye worm) hypothetical protein 0.0089 0.0436 0.0436
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0217 0.0217
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0098 0.0512 0.0457
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1061 0.7917 0.7905
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0098 0.0512 0.0457
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0107 0.0576 0.0522
Echinococcus granulosus protein kinase shaggy 0.0107 0.0576 0.0572
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0098 0.0512 0.0512
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0022 0.0017
Trichomonas vaginalis PIKK family atypical protein kinase 0.0992 0.738 0.7365
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0039 0.0057 0.0035
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0269 0.1826 0.1822
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0183 0.1165 0.1114
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0098 0.0512 0.0457
Schistosoma mansoni hypothetical protein 0.0041 0.0071 0.0066
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0217 0.0213
Entamoeba histolytica hypothetical protein 0.0163 0.1011 0.096
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0089 0.0436 0.0381
Echinococcus granulosus importin subunit beta 1 0.0035 0.0022 0.0017
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0089 0.0436 0.0432
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0118 0.0665 0.0611
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0089 0.0436 0.0432
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0089 0.0436 0.0432
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0118 0.0665 0.0644
Entamoeba histolytica hypothetical protein 0.0254 0.171 0.1662
Trypanosoma brucei protein kinase, putative 0.0107 0.0576 0.0556
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0166 0.1028 0.0977
Trichomonas vaginalis PIKK family atypical protein kinase 0.0721 0.5297 0.527
Schistosoma mansoni hypothetical protein 0.0205 0.1328 0.1324
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0089 0.0436 0.0432
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0098 0.0512 0.0491
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0283 0.1931 0.2594
Loa Loa (eye worm) phosphatidylinositol 3 0.025 0.1673 0.1673
Plasmodium vivax hypothetical protein, conserved 0.0089 0.0436 0.747
Loa Loa (eye worm) hypothetical protein 0.0254 0.171 0.171
Plasmodium vivax hypothetical protein 0.0089 0.0436 0.747
Echinococcus multilocularis serine protein kinase ATM 0.0254 0.171 0.1706
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0089 0.0436 0.0432
Leishmania major phosphatidylinositol 3-kinase, putative 0.0449 0.3205 0.3166
Trichomonas vaginalis PIKK family atypical protein kinase 0.0797 0.5885 0.5862
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0089 0.0436 0.0432
Entamoeba histolytica hypothetical protein 0.0089 0.0436 0.0381
Loa Loa (eye worm) phosphatidylinositol kinase 0.0089 0.0436 0.0436
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0183 0.1165 0.1114
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0098 0.0512 0.0665
Mycobacterium leprae conserved hypothetical protein 0.0089 0.0436 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0449 0.3205 0.3202
Trichomonas vaginalis PIKK family atypical protein kinase 0.106 0.7908 0.7896
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0254 0.171 0.1706
Trichomonas vaginalis PIKK family atypical protein kinase 0.0089 0.0436 0.0381
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0095 0.0483 0.0428
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0153 0.093 0.0878
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0194 0.1249 0.1245
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0089 0.0436 0.0563
Trichomonas vaginalis PIKK family atypical protein kinase 0.106 0.7908 0.7896
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0089 0.0436 0.0432
Echinococcus granulosus serine protein kinase ATM 0.0254 0.171 0.1706
Trichomonas vaginalis PIKK family atypical protein kinase 0.0992 0.738 0.7365
Trichomonas vaginalis PIKK family atypical protein kinase 0.0992 0.738 0.7365
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0118 0.0665 0.0611
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0089 0.0436 0.0381
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0118 0.0665 0.0661
Echinococcus multilocularis Zinc finger, PHD finger 0.0098 0.0512 0.0507
Mycobacterium tuberculosis Conserved hypothetical protein 0.0089 0.0436 0.5
Leishmania major phosphatidylinositol 4-kinase, putative 0.0089 0.0436 0.0381
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0089 0.0436 0.747
Trichomonas vaginalis PIKK family atypical protein kinase 0.0721 0.5297 0.527
Echinococcus multilocularis geminin 0.0205 0.1328 0.1324
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0089 0.0436 0.0381
Trichomonas vaginalis PIKK family atypical protein kinase 0.072 0.5288 0.5261
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0089 0.0436 0.0415
Trichomonas vaginalis PIKK family atypical protein kinase 0.072 0.5288 0.5261
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0089 0.0436 0.0432
Brugia malayi FAT domain containing protein 0.0194 0.1249 0.1245
Trichomonas vaginalis PIKK family atypical protein kinase 0.0895 0.6634 0.6615
Trichomonas vaginalis PIKK family atypical protein kinase 0.0089 0.0436 0.0381
Trichomonas vaginalis PIKK family atypical protein kinase 0.0721 0.5297 0.527
Loa Loa (eye worm) phosphatidylinositol 3 0.0089 0.0436 0.0436
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0089 0.0436 0.0415
Trichomonas vaginalis PIKK family atypical protein kinase 0.0449 0.3205 0.3166
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0098 0.0512 0.0507
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0555 0.4023 0.401
Trichomonas vaginalis PIKK family atypical protein kinase 0.072 0.5288 0.5261
Trichomonas vaginalis PIKK family atypical protein kinase 0.0449 0.3205 0.3166
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0107 0.0576 0.0576
Trichomonas vaginalis PIKK family atypical protein kinase 0.0789 0.5825 0.5801
Schistosoma mansoni hypothetical protein 0.0194 0.1249 0.1245
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0098 0.0512 0.0457
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0098 0.0512 0.0507
Trichomonas vaginalis PIKK family atypical protein kinase 0.0992 0.738 0.7365
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0107 0.0576 0.0572
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0089 0.0436 0.0563
Entamoeba histolytica protein kinase domain containing protein 0.0107 0.0576 0.0522
Leishmania major phosphatidylinositol 3-kinase, putative 0.0098 0.0512 0.0457
Echinococcus multilocularis expressed protein 0.004 0.0064 0.006
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0089 0.0436 0.0381
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0149 0.09 0.0896
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0163 0.1011 0.096
Trichomonas vaginalis PIKK family atypical protein kinase 0.0254 0.171 0.1662
Schistosoma mansoni hypothetical protein 0.0089 0.0436 0.0432
Onchocerca volvulus 0.0089 0.0436 0.7546
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0183 0.1165 0.1161
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0254 0.171 0.1706
Trichomonas vaginalis PIKK family atypical protein kinase 0.0866 0.6413 0.6393
Trichomonas vaginalis PIKK family atypical protein kinase 0.0992 0.738 0.7365
Schistosoma mansoni importin beta-1 0.0035 0.0022 0.0017
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0071 0.0066
Entamoeba histolytica hypothetical protein 0.0089 0.0436 0.0381
Leishmania major phosphatidylinositol kinase related protein, putative 0.0089 0.0436 0.0381
Trichomonas vaginalis PIKK family atypical protein kinase 0.1138 0.8505 0.8497
Trichomonas vaginalis PIKK family atypical protein kinase 0.0254 0.171 0.1662
Echinococcus granulosus expressed protein 0.004 0.0064 0.006
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0098 0.0512 0.0507
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0089 0.0436 0.0381
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0118 0.0665 0.0611
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0118 0.0665 0.0661
Schistosoma mansoni rotamase 0.004 0.0064 0.006
Loa Loa (eye worm) hypothetical protein 0.0034 0.0019 0.0019
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0107 0.0576 0.0753
Toxoplasma gondii target of rapamycin (TOR), putative 0.0992 0.738 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0254 0.171 0.1662
Trichomonas vaginalis CMGC family protein kinase 0.0107 0.0576 0.0522
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0005 0.0005
Schistosoma mansoni hypothetical protein 0.0372 0.2613 0.2609
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0449 0.3205 0.3166
Loa Loa (eye worm) hypothetical protein 0.0271 0.1838 0.1838
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0449 0.3205 0.3202
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0089 0.0436 0.747
Loa Loa (eye worm) hypothetical protein 0.0041 0.0071 0.0071
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0254 0.171 0.1662
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.2613 0.2613
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0089 0.0436 0.0381
Trichomonas vaginalis PIKK family atypical protein kinase 0.0797 0.5885 0.5862
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0254 0.171 0.1662
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0098 0.0512 0.0457
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0064 0.0007
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0269 0.1826 0.1822
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1061 0.7917 0.7912
Trichomonas vaginalis PIKK family atypical protein kinase 0.0449 0.3205 0.3166
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0183 0.1165 0.1114
Echinococcus multilocularis snurportin 1 0.0372 0.2613 0.2609
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.004 0.0064 0.006
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0118 0.0665 0.0611
Loa Loa (eye worm) phosphatidylinositol 3 0.0089 0.0436 0.0436
Echinococcus multilocularis protein kinase shaggy 0.0107 0.0576 0.0572
Trichomonas vaginalis rotamase, putative 0.004 0.0064 0.0007
Loa Loa (eye worm) phosphatidylinositol 3 0.0089 0.0436 0.0436
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0089 0.0436 0.747
Echinococcus granulosus microtubule associated protein 2 0.0833 0.6162 0.6161
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0153 0.093 0.0878
Loa Loa (eye worm) hypothetical protein 0.0033 0.0005 0.0005
Giardia lamblia Kinase, CMGC GSK 0.0107 0.0576 0.0147
Echinococcus granulosus geminin 0.0205 0.1328 0.1324
Echinococcus multilocularis 0.0089 0.0436 0.0432
Loa Loa (eye worm) phosphatidylinositol 3 0.0089 0.0436 0.0436
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0254 0.171 0.1706
Trichomonas vaginalis PIKK family atypical protein kinase 0.0992 0.738 0.7365
Leishmania major hypothetical protein, unknown function 0.0089 0.0436 0.0381
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0149 0.09 0.0896
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.004 0.0064 0.0064
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0089 0.0436 0.0432
Trichomonas vaginalis PIKK family atypical protein kinase 0.0721 0.5297 0.527
Plasmodium vivax glycogen synthase kinase 3, putative 0.0107 0.0576 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0449 0.3205 0.3205
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0089 0.0436 0.0432
Trichomonas vaginalis PIKK family atypical protein kinase 0.0166 0.1028 0.0977
Schistosoma mansoni hypothetical protein 0.0205 0.1328 0.1324
Loa Loa (eye worm) hypothetical protein 0.006 0.0217 0.0217
Loa Loa (eye worm) hypothetical protein 0.0166 0.1028 0.1028
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0133 0.0776 0.0356
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0089 0.0436 0.0381
Trichomonas vaginalis PIKK family atypical protein kinase 0.0449 0.3205 0.3166
Leishmania major hypothetical protein, conserved 0.0089 0.0436 0.0381
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0449 0.3205 0.3166
Onchocerca volvulus 0.0089 0.0436 0.7546
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0086 0.0416 0.0411
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0089 0.0436 0.0563
Brugia malayi intracellular kinase 0.0107 0.0576 0.0572
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.6162 0.6161
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0149 0.09 0.0896
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0183 0.1165 0.1114
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0098 0.0512 0.0507
Trichomonas vaginalis conserved hypothetical protein 0.0194 0.1249 0.1199
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0449 0.3205 0.3202
Entamoeba histolytica protein kinase domain containing protein 0.0107 0.0576 0.0522
Plasmodium falciparum glycogen synthase kinase 3 0.0107 0.0576 1
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0098 0.0512 0.8833
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0217 0.0213
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0089 0.0436 0.747
Trichomonas vaginalis PIKK family atypical protein kinase 0.0992 0.738 0.7365
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0107 0.0576 0.0576
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.2519 0.2477
Trichomonas vaginalis PIKK family atypical protein kinase 0.106 0.7908 0.7896
Onchocerca volvulus 0.0107 0.0576 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0118 0.0665 0.0611
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0098 0.0512 0.0457
Brugia malayi Importin beta-1 subunit 0.0035 0.0022 0.0017
Loa Loa (eye worm) hypothetical protein 0.0149 0.09 0.09
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0098 0.0512 0.0457
Trichomonas vaginalis PIKK family atypical protein kinase 0.0797 0.5885 0.5862
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0107 0.0576 0.0572
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0449 0.3205 0.3202
Trichomonas vaginalis CMGC family protein kinase 0.0107 0.0576 0.0522
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0098 0.0512 0.0507
Trichomonas vaginalis PIKK family atypical protein kinase 0.106 0.7908 0.7896
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0107 0.0576 0.0522
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0183 0.1165 0.1114
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0449 0.3205 0.319
Trichomonas vaginalis PIKK family atypical protein kinase 0.0789 0.5825 0.5801
Entamoeba histolytica protein kinase rad3, putative 0.0254 0.171 0.1662
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0098 0.0512 0.0665
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0254 0.171 0.1706
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0089 0.0436 0.0432
Leishmania major phosphatidylinositol kinase, putative 0.0089 0.0436 0.0381
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0194 0.1249 0.1245
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0098 0.0512 0.8833
Giardia lamblia Kinase, CMGC GSK 0.0107 0.0576 0.0147
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.6162 0.6161
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0449 0.3205 0.319
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0089 0.0436 0.747
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0254 0.171 0.1706
Trichomonas vaginalis conserved hypothetical protein 0.0283 0.1931 0.1885
Entamoeba histolytica hypothetical protein 0.0089 0.0436 0.0381
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0089 0.0436 0.0432
Trichomonas vaginalis PIKK family atypical protein kinase 0.0449 0.3205 0.3166
Brugia malayi RNA, U transporter 1 0.0099 0.0516 0.0511
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0254 0.171 0.1692
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0129 0.0747 0.0694
Loa Loa (eye worm) hypothetical protein 0.0283 0.1931 0.1931
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0089 0.0436 0.0381
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0183 0.1165 0.1114
Trichomonas vaginalis conserved hypothetical protein 0.0166 0.1028 0.0977
Toxoplasma gondii FATC domain-containing protein 0.0254 0.171 0.2294
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0632 0.4611 0.4599
Toxoplasma gondii peptidylprolyl isomerase 0.0039 0.0057 0.0048
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0005 0.0005
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0098 0.0512 0.0457
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0089 0.0436 0.0432
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0098 0.0512 0.0507
Schistosoma mansoni fkbp-rapamycin associated protein 0.0254 0.171 0.1706
Trichomonas vaginalis PIKK family atypical protein kinase 0.106 0.7908 0.7896
Loa Loa (eye worm) hypothetical protein 0.0035 0.0022 0.0022
Echinococcus granulosus snurportin 1 0.0372 0.2613 0.2609
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0109 0.0589 0.016
Entamoeba histolytica protein kinase, putative 0.0107 0.0576 0.0522
Trypanosoma cruzi target of rapamycin kinase 3 0.1061 0.7917 0.7905

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0046 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 (binding) = 0.7943 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 2.3109 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) 3.6626 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) 8.9125 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) = 12.5893 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 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) = 22.3342 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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) 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) 112.2018 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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