Detailed information for compound 1632760

Basic information

Technical information
  • TDR Targets ID: 1632760
  • Name: 2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimid azol-5-ol
  • MW: 307.39 | Formula: C19H21N3O
  • H donors: 2 H acceptors: 2 LogP: 3.47 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc2c(c1CN1CCCCC1)nc([nH]2)c1ccccc1
  • InChi: 1S/C19H21N3O/c23-17-10-9-16-18(15(17)13-22-11-5-2-6-12-22)21-19(20-16)14-7-3-1-4-8-14/h1,3-4,7-10,23H,2,5-6,11-13H2,(H,20,21)
  • InChiKey: FVHKIGHCUWTXCC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-phenyl-4-(1-piperidylmethyl)-1H-benzimidazol-5-ol
  • 2-phenyl-4-(piperidinomethyl)-1H-benzimidazol-5-ol
  • CBMicro_038074
  • Oprea1_453860
  • A4121/0175724

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL References
Homo sapiens glutamate receptor, ionotropic, N-methyl D-aspartate 2B Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL References
Homo sapiens glutamate receptor, ionotropic, N-methyl D-aspartate 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus multilocularis nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum expressed protein Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus granulosus glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus multilocularis glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus multilocularis glutamate (NMDA) receptor subunit Get druggable targets OG5_129290 All targets in OG5_129290
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus granulosus nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus multilocularis nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma mansoni glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum ko:K05314 glutamate receptor, ionotropic, N-methyl-D-aspartate 2, invertebrate, putative Get druggable targets OG5_129290 All targets in OG5_129290
Schistosoma mansoni glutamate receptor NMDA Get druggable targets OG5_129290 All targets in OG5_129290
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus granulosus glutamate NMDA receptor subunit Get druggable targets OG5_129290 All targets in OG5_129290
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica hypothetical protein 0.0587 0.0589 0.0589
Trichomonas vaginalis PIKK family atypical protein kinase 0.6653 0.7431 0.742
Schistosoma mansoni fkbp-rapamycin associated protein 0.1708 0.1854 0.1851
Entamoeba histolytica protein kinase, putative 0.0104 0.0045 0.0044
Entamoeba histolytica protein kinase, putative 0.0104 0.0045 0.0044
Leishmania major phosphatidylinositol 4-kinase, putative 0.0587 0.0589 0.0474
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.712 0.7957 0.7932
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0171 0.0121 0.0077
Giardia lamblia GTOR 0.8931 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0195 0.0147 0.0147
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0065 0.0001 0.0001
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.8931 1 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0711 0.0729 0.0729
Mycobacterium tuberculosis Conserved hypothetical protein 0.0587 0.0589 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0648 0.0658 0.0655
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0587 0.0589 0.9627
Echinococcus granulosus glutamate NMDA receptor subunit 0.0115 0.0058 0.0058
Echinococcus multilocularis serine protein kinase ATM 0.1708 0.1854 0.1854
Trichomonas vaginalis PIKK family atypical protein kinase 0.1121 0.1193 0.1153
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0587 0.0589 0.9627
Trypanosoma cruzi target of rapamycin kinase 3 0.712 0.7957 0.7957
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0171 0.0121 0.0077
Schistosoma mansoni immunophilin 0.0171 0.0121 0.0117
Trichomonas vaginalis PIKK family atypical protein kinase 0.4835 0.5381 0.536
Trichomonas vaginalis PIKK family atypical protein kinase 0.5338 0.5948 0.5929
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0587 0.0589 0.0547
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.3075 0.3396 0.3395
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0607 0.0612 0.0611
Toxoplasma gondii FATC domain-containing protein 0.1708 0.1854 0.2457
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0607 0.0612 0.057
Loa Loa (eye worm) phosphatidylinositol 3 0.8931 1 1
Loa Loa (eye worm) phosphatidylinositol kinase 0.0587 0.0589 0.0586
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0607 0.0612 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.8931 1 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.3024 0.3338 0.3256
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0171 0.0121 0.0117
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1121 0.1193 0.1192
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0587 0.0589 0.0589
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0171 0.0121 0.012
Echinococcus granulosus nmda type glutamate receptor 0.0113 0.0056 0.0056
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0607 0.0612 0.0608
Trichomonas vaginalis PIKK family atypical protein kinase 0.3024 0.3338 0.3308
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.3721 0.4124 0.4098
Mycobacterium leprae conserved hypothetical protein 0.0587 0.0589 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0093 0.0033 0.0032
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0607 0.0612 0.0612
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.8931 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0067 0.0004 0.0004
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0648 0.0658 0.0658
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0587 0.0589 0.0589
Echinococcus granulosus serine protein kinase ATM 0.1708 0.1854 0.1854
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0587 0.0589 0.9627
Trichomonas vaginalis PIKK family atypical protein kinase 0.3024 0.3338 0.3308
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0587 0.0589 0.0746
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0071 0.0008 0.0007
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0958 0.1008 0.1008
Loa Loa (eye worm) phosphatidylinositol 3 0.0587 0.0589 0.0586
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0065 0.0001 0.0001
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.8931 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0254 0.0214 0.0211
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0781 0.0809 0.0768
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0587 0.0589 0.0589
Trichomonas vaginalis immunophilin, putative 0.0171 0.0121 0.0077
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0217 0.0173 0.0129
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0067 0.0004 0.0004
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0607 0.0612 0.0608
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0958 0.1008 0.1005
Trichomonas vaginalis PIKK family atypical protein kinase 0.6653 0.7431 0.742
Trichomonas vaginalis PIKK family atypical protein kinase 0.4842 0.5389 0.5368
Entamoeba histolytica hypothetical protein 0.1708 0.1854 0.1853
Entamoeba histolytica hypothetical protein 0.0587 0.0589 0.0589
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0607 0.0612 0.057
Trichomonas vaginalis PIKK family atypical protein kinase 0.7112 0.7949 0.794
Trichomonas vaginalis conserved hypothetical protein 0.1316 0.1412 0.1373
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0607 0.0612 0.0611
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0607 0.0612 0.0611
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0587 0.0589 0.0547
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0171 0.0121 0.012
Trichomonas vaginalis PIKK family atypical protein kinase 0.7615 0.8516 0.8509
Leishmania major phosphatidylinositol 3-kinase, putative 0.0607 0.0612 0.0497
Trichomonas vaginalis PIKK family atypical protein kinase 0.3035 0.335 0.332
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0607 0.0612 0.0497
Trichomonas vaginalis PIKK family atypical protein kinase 0.8931 1 1
Loa Loa (eye worm) hypothetical protein 0.0587 0.0589 0.0586
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0781 0.0809 0.0768
Onchocerca volvulus 0.0587 0.0589 0.5
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1708 0.1854 0.1853
Echinococcus multilocularis voltage gated potassium channel 0.0067 0.0004 0.0004
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0627 0.0636 0.0635
Schistosoma mansoni serine/threonine-protein kinase 0.0071 0.0008 0.0004
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0171 0.0121 0.197
Trichomonas vaginalis PIKK family atypical protein kinase 0.5301 0.5906 0.5888
Trichomonas vaginalis PIKK family atypical protein kinase 0.2398 0.2632 0.2599
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0718 0.0738 0.0696
Schistosoma mansoni voltage-gated potassium channel 0.0254 0.0214 0.0211
Trichomonas vaginalis conserved hypothetical protein 0.1121 0.1193 0.1153
Loa Loa (eye worm) phosphatidylinositol 3 0.0917 0.0962 0.0958
Loa Loa (eye worm) hypothetical protein 0.1811 0.1971 0.1967
Schistosoma mansoni glutamate receptor NMDA 0.0153 0.01 0.0096
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.1708 0.1854 0.1854
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0587 0.0589 0.0746
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.3075 0.3396 0.3396
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1708 0.1854 0.1817
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0171 0.0121 0.012
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.8931 1 1
Loa Loa (eye worm) hypothetical protein 0.1316 0.1412 0.1408
Plasmodium vivax hypothetical protein 0.0587 0.0589 0.9627
Echinococcus granulosus serine threonine protein kinase nrc 0.0065 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.1902 0.2073 0.207
Brugia malayi p70 ribosomal S6 kinase beta 0.0097 0.0038 0.0034
Loa Loa (eye worm) phosphatidylinositol 3 0.0587 0.0589 0.0586
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0233 0.019 0.019
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.067 0.0683 0.0682
Echinococcus granulosus glutamate receptor NMDA 0.0095 0.0035 0.0035
Loa Loa (eye worm) FKBP5 protein 0.0171 0.0121 0.0117
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0171 0.0121 0.012
Echinococcus granulosus serine:threonine protein kinase SMG1 0.1708 0.1854 0.1854
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0148 0.0095 0.0095
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.3024 0.3338 0.3308
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.3075 0.3396 0.3395
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0171 0.0121 0.012
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0171 0.0121 0.0077
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0958 0.1008 0.1008
Entamoeba histolytica hypothetical protein 0.074 0.0763 0.0762
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0587 0.0589 0.0589
Trichomonas vaginalis PIKK family atypical protein kinase 0.4835 0.5381 0.536
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0171 0.0121 0.0117
Plasmodium vivax hypothetical protein, conserved 0.0587 0.0589 0.9627
Trichomonas vaginalis PIKK family atypical protein kinase 0.5301 0.5906 0.5888
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0648 0.0658 0.0655
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0781 0.0809 0.0808
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0607 0.0612 0.057
Loa Loa (eye worm) hypothetical protein 0.1121 0.1193 0.1189
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.1316 0.1412 0.1412
Trichomonas vaginalis PIKK family atypical protein kinase 0.5338 0.5948 0.5929
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0171 0.0121 0.0117
Entamoeba histolytica hypothetical protein 0.0587 0.0589 0.0589
Loa Loa (eye worm) AGC/AKT protein kinase 0.0104 0.0045 0.0041
Loa Loa (eye worm) hypothetical protein 0.0148 0.0095 0.0091
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0781 0.0809 0.0768
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0648 0.0658 0.0658
Schistosoma mansoni hypothetical protein 0.0587 0.0589 0.0586
Trichomonas vaginalis PIKK family atypical protein kinase 0.8931 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.6653 0.7431 0.742
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0587 0.0589 0.9627
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0171 0.0121 0.0121
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0849 0.0885 0.0885
Trichomonas vaginalis PIKK family atypical protein kinase 0.4842 0.5389 0.5368
Entamoeba histolytica protein kinase rad3, putative 0.1708 0.1854 0.1853
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0587 0.0589 0.0589
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0217 0.0173 0.0129
Trichomonas vaginalis PIKK family atypical protein kinase 0.5991 0.6684 0.667
Trichomonas vaginalis PIKK family atypical protein kinase 0.6653 0.7431 0.742
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0587 0.0589 0.0589
Schistosoma mansoni hypothetical protein 0.1316 0.1412 0.1408
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.1719 0.1866 0.1866
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0587 0.0589 0.0586
Trichomonas vaginalis PIKK family atypical protein kinase 0.0587 0.0589 0.0547
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0781 0.0809 0.0805
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.1316 0.1412 0.1412
Leishmania major phosphatidylinositol kinase related protein, putative 0.0587 0.0589 0.0474
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1902 0.2073 0.2753
Entamoeba histolytica PH domain containing protein kinase, putative 0.0071 0.0008 0.0007
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.8931 1 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0171 0.0121 0.0117
Echinococcus multilocularis fk506 binding protein 0.0171 0.0121 0.0121
Leishmania major hypothetical protein, unknown function 0.0587 0.0589 0.0474
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0781 0.0809 0.0808
Schistosoma mansoni immunophilin 0.0148 0.0095 0.0091
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0781 0.0809 0.0808
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0587 0.0589 0.0586
Echinococcus granulosus nmda type glutamate receptor 0.0104 0.0046 0.0046
Trichomonas vaginalis conserved hypothetical protein 0.1902 0.2073 0.2038
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.8931 1 1
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0171 0.0121 0.012
Trichomonas vaginalis PIKK family atypical protein kinase 0.6653 0.7431 0.742
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0587 0.0589 0.0586
Echinococcus multilocularis nmda type glutamate receptor 0.0104 0.0046 0.0046
Giardia lamblia Phosphatidylinositol 4-kinase 0.0587 0.0589 0.0589
Trichomonas vaginalis PIKK family atypical protein kinase 0.6653 0.7431 0.742
Echinococcus multilocularis 0.0587 0.0589 0.0589
Trichomonas vaginalis PIKK family atypical protein kinase 0.6653 0.7431 0.742
Leishmania major phosphatidylinositol kinase, putative 0.0587 0.0589 0.0474
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0607 0.0612 0.0608
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0607 0.0612 0.0777
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0587 0.0589 0.0547
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0171 0.0121 0.012
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0171 0.0121 0.5
Schistosoma mansoni serine/threonine-protein kinase 0.0071 0.0008 0.0004
Brugia malayi FAT domain containing protein 0.1316 0.1412 0.1408
Trichomonas vaginalis PIKK family atypical protein kinase 0.1719 0.1866 0.183
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0718 0.0738 0.0696
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0171 0.0121 0.012
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0148 0.0095 0.0095
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0587 0.0589 0.0589
Leishmania major phosphatidylinositol 3-related kinase, putative 0.3035 0.335 0.3269
Trichomonas vaginalis PIKK family atypical protein kinase 0.1708 0.1854 0.1817
Trichomonas vaginalis PIKK family atypical protein kinase 0.7112 0.7949 0.794
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0587 0.0589 0.0586
Trichomonas vaginalis PIKK family atypical protein kinase 0.4842 0.5389 0.5368
Loa Loa (eye worm) hypothetical protein 0.0202 0.0156 0.0152
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0587 0.0589 0.0746
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0587 0.0589 0.9627
Trichomonas vaginalis PIKK family atypical protein kinase 0.4835 0.5381 0.536
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0171 0.0121 0.0121
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0677 0.0692 0.0691
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0177 0.0127 0.0123
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0711 0.0729 0.0726
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.1708 0.1854 0.1853
Echinococcus multilocularis Zinc finger, PHD finger 0.0607 0.0612 0.0612
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0849 0.0885 0.0885
Toxoplasma gondii target of rapamycin (TOR), putative 0.6653 0.7431 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1708 0.1854 0.1851
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.8931 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0648 0.0658 0.0616
Trichomonas vaginalis PIKK family atypical protein kinase 0.0587 0.0589 0.0547
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0607 0.0612 0.0777
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1708 0.1854 0.1851
Onchocerca volvulus 0.0587 0.0589 0.5
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0587 0.0589 0.0547
Trichomonas vaginalis PIKK family atypical protein kinase 0.4842 0.5389 0.5368
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0648 0.0658 0.0616
Echinococcus granulosus voltage gated potassium channel 0.0067 0.0004 0.0004
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0587 0.0589 0.0589
Loa Loa (eye worm) hypothetical protein 0.1708 0.1854 0.1851
Echinococcus multilocularis glutamate receptor NMDA 0.0095 0.0035 0.0035
Loa Loa (eye worm) phosphatidylinositol 3 0.3035 0.335 0.3348
Loa Loa (eye worm) hypothetical protein 0.0071 0.0008 0.0004
Loa Loa (eye worm) hypothetical protein 0.0711 0.0729 0.0726
Schistosoma mansoni glutamate receptor NMDA 0.0115 0.0058 0.0054
Schistosoma mansoni immunophilin 0.0171 0.0121 0.0117
Trichomonas vaginalis PIKK family atypical protein kinase 0.7112 0.7949 0.794
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.4216 0.4683 0.4659
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0607 0.0612 0.057
Echinococcus multilocularis rac serine:threonine kinase 0.0071 0.0008 0.0008
Trichomonas vaginalis PIKK family atypical protein kinase 0.8931 1 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0171 0.0121 0.5
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0648 0.0658 0.0616
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.3035 0.335 0.332
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0115 0.0058 0.0058
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.8931 1 1
Giardia lamblia Hypothetical protein 0.0587 0.0589 0.0589
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0607 0.0612 0.0611
Echinococcus granulosus serine/threonine protein kinase 0.0071 0.0008 0.0008
Trichomonas vaginalis PIKK family atypical protein kinase 0.3024 0.3338 0.3308
Trichomonas vaginalis PIKK family atypical protein kinase 0.5797 0.6465 0.6449
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0607 0.0612 0.0612
Loa Loa (eye worm) phosphatidylinositol 3 0.0587 0.0589 0.0586
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0233 0.019 0.0186
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0171 0.0121 0.0077
Trichomonas vaginalis PIKK family atypical protein kinase 0.7112 0.7949 0.794
Loa Loa (eye worm) phosphatidylinositol 3 0.0587 0.0589 0.0586
Trichomonas vaginalis PIKK family atypical protein kinase 0.3024 0.3338 0.3308
Entamoeba histolytica PH domain containing protein kinase, putative 0.0071 0.0008 0.0007
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.3075 0.3396 0.3393
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.3075 0.3396 0.3393
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0171 0.0121 0.0121
Leishmania major hypothetical protein, conserved 0.068 0.0694 0.058
Echinococcus multilocularis nmda type glutamate receptor 0.0113 0.0056 0.0056
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0607 0.0612 0.0608
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.8931 1 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0587 0.0589 0.0589
Trichomonas vaginalis fk506-binding protein, putative 0.0171 0.0121 0.0077
Entamoeba histolytica protein kinase, putative 0.0097 0.0038 0.0037
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0711 0.0729 0.0729
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.8931 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0648 0.0658 0.0616
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0648 0.0658 0.0658
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.3075 0.3396 0.3396
Trichomonas vaginalis PIKK family atypical protein kinase 0.5338 0.5948 0.5929
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0233 0.019 0.0186
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0587 0.0589 0.0589
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0233 0.019 0.019
Trypanosoma cruzi Protein kinase B 0.0071 0.0008 0.0007
Trypanosoma brucei target of rapamycin kinase 3, putative 0.712 0.7957 0.7948
Brugia malayi Protein kinase domain containing protein 0.0104 0.0045 0.0041
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0607 0.0612 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0587 0.0589 0.0586
Trichomonas vaginalis PIKK family atypical protein kinase 0.7112 0.7949 0.794
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1708 0.1854 0.1851
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0587 0.0589 0.0586
Trichomonas vaginalis PIKK family atypical protein kinase 0.1708 0.1854 0.1817
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0171 0.0121 0.197
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.074 0.0763 0.0762
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0607 0.0612 0.0612
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0587 0.0589 0.0589
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0097 0.0038 0.0034

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 4.3 Antagonist activity at human NR1-NR2A receptor by FLIPR-based Ca2+ flux assay ChEMBL. 22366657
IC50 (functional) = 7 Antagonist activity at human NR1-NR2B receptor expressed in HEK293T cells assessed as inhibition of glutamate-induced response by whole cell voltage clamp electrophysiology assay ChEMBL. 22366657
IC50 (functional) = 7 Antagonist activity at human NR1-NR2B receptor expressed in HEK293T cells assessed as inhibition of glycine-induced response by whole cell voltage clamp electrophysiology assay ChEMBL. 22366657
IC50 (binding) = 8.1 Displacement of [3H]-Ro256981 from human NR2B receptor ChEMBL. 22366657
IC50 (ADMET) = 3 uM Inhibition of CYP1A2 ChEMBL. 22366657
IC50 (ADMET) = 6 uM Inhibition of CYP2D6 ChEMBL. 22366657
IC50 (ADMET) > 30 uM Inhibition of CYP2C9 ChEMBL. 22366657
IC50 (ADMET) > 30 uM Inhibition of CYP2C19 ChEMBL. 22366657
IC50 (ADMET) > 30 uM Inhibition of CYP3A4 ChEMBL. 22366657

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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