Detailed information for compound 142526

Basic information

Technical information
  • TDR Targets ID: 142526
  • Name: (1R,2R)-2-spiro[1,2-dihydroindene-3,4'-piperi dine]-1'-ylcyclohexan-1-ol
  • MW: 285.424 | Formula: C19H27NO
  • H donors: 1 H acceptors: 1 LogP: 3.74 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@@H]1CCCC[C@H]1N1CCC2(CC1)CCc1c2cccc1
  • InChi: 1S/C19H27NO/c21-18-8-4-3-7-17(18)20-13-11-19(12-14-20)10-9-15-5-1-2-6-16(15)19/h1-2,5-6,17-18,21H,3-4,7-14H2/t17-,18-/m1/s1
  • InChiKey: OZRJHGKKLPXGID-QZTJIDSGSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (1R,2R)-2-spiro[indane-1,4'-piperidine]-1'-ylcyclohexanol
  • (1R,2R)-2-(1'-spiro[indane-1,4'-piperidine]yl)cyclohexanol
  • (1R,2R)-2-spiro[indane-1,4'-piperidine]-1'-ylcyclohexan-1-ol
  • (1R,2R)-2-(1'-spiro[indane-1,4'-piperidine]yl)-1-cyclohexanol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Torpedo californica Vesicular acetylcholine transporter Starlite/ChEMBL References
Homo sapiens sigma non-opioid intracellular receptor 1 Starlite/ChEMBL References
Homo sapiens solute carrier family 18 (vesicular acetylcholine transporter), member 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K08155 MFS transporter, DHA1 family, solute carrier family 18 (vesicular, putative Get druggable targets OG5_133283 All targets in OG5_133283
Leishmania infantum C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Brugia malayi ERG2 and Sigma1 receptor like protein Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma brucei gambiense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma congolense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania major C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma congolense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Echinococcus granulosus vesicular acetylcholine transporter Get druggable targets OG5_133283 All targets in OG5_133283
Leishmania braziliensis C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Echinococcus multilocularis vesicular acetylcholine transporter Get druggable targets OG5_133283 All targets in OG5_133283
Brugia malayi vesicular acetylcholine transporter unc-17 Get druggable targets OG5_133283 All targets in OG5_133283
Candida albicans sterol C8-C7 isomerase Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania donovani C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania mexicana C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 Get druggable targets OG5_133283 All targets in OG5_133283
Trypanosoma brucei C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Schistosoma mansoni vesicular acetylcholine transporter Get druggable targets OG5_133283 All targets in OG5_133283
Onchocerca volvulus Vesicular acetylcholine transporter homolog Get druggable targets OG5_133283 All targets in OG5_133283
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131051 All targets in OG5_131051
Candida albicans sterol C8-C7 isomerase Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma cruzi C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) abnormal catecholamine distribution protein 1 Vesicular acetylcholine transporter   515 aa 427 aa 38.6 %
Onchocerca volvulus Vesicular acetylcholine transporter   515 aa 456 aa 53.1 %
Brugia malayi Abnormal catecholamine distribution protein 1 solute carrier family 18 (vesicular acetylcholine transporter), member 3 532 aa 504 aa 34.3 %
Brugia malayi Abnormal catecholamine distribution protein 1 Vesicular acetylcholine transporter   515 aa 431 aa 37.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus cyclin dependent kinase 0.0058 0.0072 0.0038
Echinococcus granulosus tyrosine protein kinase Fyn 0.0081 0.0245 0.0212
Leishmania major protein kinase, putative 0.0053 0.0034 0.011
Echinococcus granulosus defective proboscis extension response 0.0094 0.0351 0.0319
Brugia malayi Protein kinase domain containing protein 0.0214 0.128 0.255
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0081 0.0245 0.0564
Trichomonas vaginalis CMGC family protein kinase 0.0126 0.0598 0.337
Schistosoma mansoni tyrosine kinase 0.0078 0.0229 0.0522
Loa Loa (eye worm) camk/mapkapk/mnk protein kinase 0.0487 0.3401 0.6951
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0045 0.0031
Echinococcus granulosus tyrosine protein kinase Src64B 0.0081 0.0245 0.0212
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0081 0.0245 0.0564
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0055 0.0045 0.0011
Loa Loa (eye worm) SRC-1 0.0081 0.0245 0.0481
Echinococcus granulosus insulin growth factor 1 receptor beta 0.042 0.2885 0.286
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0063 0.0105 0.0071
Trichomonas vaginalis CMGC family protein kinase 0.0126 0.0598 0.337
Brugia malayi P38 map kinase family protein 2 0.0156 0.083 0.162
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0534 0.377 0.9023
Schistosoma mansoni serine/threonine protein kinase 0.0337 0.2235 0.5891
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 7 0.0096 0.0362 0.0879
Trichomonas vaginalis STE family protein kinase 0.0266 0.1685 1
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0058 0.0072 0.0233
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0162 0.0875 0.2253
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0081 0.0245 0.0564
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0081 0.0245 0.0564
Leishmania major protein kinase A catalytic subunit 0.0055 0.0045 0.0147
Loa Loa (eye worm) TK/INSR protein kinase 0.0407 0.2781 0.5681
Onchocerca volvulus Tyrosine kinase homolog 0.0585 0.4165 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0156 0.0298
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0096 0.0362 0.0879
Entamoeba histolytica cell division protein kinase 2, putative 0.0058 0.0072 0.3666
Schistosoma mansoni ephrin receptor 0.0248 0.1547 0.405
Loa Loa (eye worm) AGC/PKN protein kinase 0.0337 0.2235 0.456
Loa Loa (eye worm) TK/ROR protein kinase 0.0063 0.0105 0.0195
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 1 0.0055 0.0045 0.0147
Brugia malayi cell division control protein 2 homolog 0.0058 0.0072 0.0054
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.014 0.0709 0.2306
Loa Loa (eye worm) hypothetical protein 0.0066 0.0131 0.0247
Loa Loa (eye worm) hypothetical protein 0.0107 0.0454 0.0911
Plasmodium vivax protein kinase Crk2 0.0058 0.0072 0.1912
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0126 0.0598 0.1943
Echinococcus granulosus ephrin type A receptor 4 A 0.0278 0.1783 0.1755
Loa Loa (eye worm) AUR protein kinase 0.0074 0.0193 0.0375
Trypanosoma cruzi cdc2-related kinase 3 0.0058 0.0072 0.0233
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0162 0.0875 0.0844
Brugia malayi Furin-like cysteine rich region family protein 0.0358 0.2403 0.4868
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0069 0.0156 0.0122
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0156 0.083 0.1681
Schistosoma mansoni tyrosine kinase 0.0277 0.1771 0.465
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0058 0.0072 0.1197
Brugia malayi Protein kinase domain containing protein 0.0058 0.0072 0.0054
Loa Loa (eye worm) hypothetical protein 0.0107 0.0454 0.0911
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0058 0.0072 0.0038
Echinococcus multilocularis tyrosine protein kinase Srms 0.0069 0.0156 0.0326
Echinococcus multilocularis MAM 0.0066 0.0131 0.0259
Brugia malayi Fes/CIP4 homology domain containing protein 0.018 0.1016 0.2004
Echinococcus multilocularis cyclin dependent kinase 5 0.0058 0.0072 0.0101
Schistosoma mansoni hypothetical protein 0.0066 0.0131 0.0259
Entamoeba histolytica protein kinase domain containing protein 0.0053 0.0034 0.1699
Echinococcus granulosus tyrosine protein kinase Src42A 0.0081 0.0245 0.0212
Brugia malayi Fibronectin type III domain containing protein 0.0107 0.0454 0.0845
Trypanosoma cruzi cdc2-related kinase 1 0.0058 0.0072 0.0233
Echinococcus granulosus tyrosine protein kinase Fyn 0.0081 0.0245 0.0212
Loa Loa (eye worm) hypothetical protein 0.0107 0.0454 0.0911
Leishmania major mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860 0.0266 0.1685 0.5478
Echinococcus granulosus mitogen activated protein kinase 0.0126 0.0598 0.0566
Trichomonas vaginalis CMGC family protein kinase 0.0126 0.0598 0.337
Schistosoma mansoni tyrosine kinase 0.0081 0.0245 0.0564
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0277 0.1771 0.1743
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0126 0.0598 0.1943
Schistosoma mansoni serine/threonine protein kinase 0.0179 0.1011 0.2617
Schistosoma mansoni tyrosine kinase 0.0319 0.2101 0.5533
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0069 0.0156 0.0326
Brugia malayi Tyrosine-protein kinase abl-1 0.0081 0.0245 0.0412
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0055 0.0045 0.0031
Trypanosoma brucei protein kinase, putative 0.0126 0.0598 0.1943
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0072 0.0161
Trypanosoma cruzi mitogen-activated protein kinase kinase 5 0.0266 0.1685 0.5478
Echinococcus multilocularis tyrosine protein kinase Blk 0.0069 0.0156 0.0326
Echinococcus granulosus serine:threonine protein kinase N2 0.0337 0.2235 0.2208
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0126 0.0598 0.1943
Loa Loa (eye worm) hypothetical protein 0.0094 0.0351 0.07
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0054 0.004 0.0062
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0053 0.0034 0.0565
Plasmodium falciparum cAMP-dependent protein kinase catalytic subunit 0.0055 0.0045 0.0716
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 2 0.0055 0.0045 0.0147
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0055 0.0045 0.0011
Loa Loa (eye worm) hypothetical protein 0.0094 0.0351 0.07
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0126 0.0598 1
Trichomonas vaginalis CMGC family protein kinase 0.0064 0.0116 0.0435
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0074 0.0193 0.0426
Leishmania major C-8 sterol isomerase-like protein 0.0445 0.3075 1
Loa Loa (eye worm) hypothetical protein 0.0484 0.3379 0.6906
Echinococcus multilocularis c src tyrosine kinase 0.0081 0.0245 0.0564
Schistosoma mansoni tyrosine kinase 0.0162 0.0875 0.2253
Loa Loa (eye worm) TK/FER protein kinase 0.0069 0.0156 0.0298
Loa Loa (eye worm) TK/FER protein kinase 0.0069 0.0156 0.0298
Brugia malayi Protein kinase domain containing protein 0.0595 0.4246 0.8673
Schistosoma mansoni protein kinase 0.0266 0.1685 0.4419
Leishmania major protein kinase, putative 0.0074 0.0193 0.0628
Entamoeba histolytica protein kinase , putative 0.0074 0.0193 1
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0081 0.0245 0.0564
Trypanosoma brucei protein kinase, putative 0.0064 0.0116 0.0379
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0064 0.0116 0.0218
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0081 0.0245 0.0564
Schistosoma mansoni tyrosine kinase 0.0296 0.1918 0.5042
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0193 0.0902
Echinococcus multilocularis 0.0095 0.0355 0.0861
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.042 0.2885 0.7631
Echinococcus granulosus tyrosine protein kinase shark 0.0319 0.2101 0.2074
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0072 0.0161
Echinococcus granulosus insulin receptor 0.0407 0.2781 0.2757
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0081 0.0245 0.0564
Echinococcus multilocularis roundabout 2 0.0141 0.0711 0.1813
Giardia lamblia Kinase, CMGC GSK 0.0064 0.0116 0.0435
Trichomonas vaginalis CMGC family protein kinase 0.0064 0.0116 0.0435
Echinococcus multilocularis mitogen activated protein kinase 14 0.0156 0.083 0.2131
Echinococcus granulosus aurora kinase A 0.0074 0.0193 0.016
Echinococcus granulosus tyrosine protein kinase ABL1 0.0069 0.0156 0.0122
Brugia malayi hypothetical protein 0.0066 0.0131 0.0176
Schistosoma mansoni tyrosine kinase 0.0231 0.1417 0.3704
Loa Loa (eye worm) TK/FER protein kinase 0.0069 0.0156 0.0298
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.011 0.0475 0.0443
Giardia lamblia Kinase, CMGC CDK 0.0058 0.0072 0.0161
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 1 0.0055 0.0045 0.0147
Brugia malayi Immunoglobulin I-set domain containing protein 0.0179 0.1008 0.1988
Schistosoma mansoni serine/threonine protein kinase 0.0058 0.0072 0.0101
Brugia malayi Protein kinase domain containing protein 0.0069 0.0156 0.0228
Echinococcus granulosus tyrosine kinase 0.0069 0.0156 0.0122
Plasmodium vivax cAMP-dependent protein kinase catalytic subunit, putative 0.0055 0.0045 0.016
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0094 0.0351 0.085
Loa Loa (eye worm) hypothetical protein 0.0055 0.0045 0.0072
Entamoeba histolytica protein kinase, putative 0.0074 0.0193 1
Loa Loa (eye worm) TK/ALK protein kinase 0.0595 0.4244 0.8679
Plasmodium falciparum protein kinase, putative 0.0055 0.0043 0.0565
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0055 0.0045 0.0031
Giardia lamblia Kinase, CMGC CDK 0.0058 0.0072 0.0161
Brugia malayi serine/threonine protein kinase 6 0.0074 0.0193 0.0305
Loa Loa (eye worm) hypothetical protein 0.0127 0.0608 0.1226
Echinococcus granulosus rho-associated protein kinase 1 0.0179 0.1011 0.0981
Plasmodium falciparum tyrosine kinase-like protein 0.0055 0.0043 0.0565
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0064 0.0116 0.0379
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0074 0.0193 0.016
Trichomonas vaginalis CMGC family protein kinase 0.0126 0.0598 0.337
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0064 0.0116 0.1949
Schistosoma mansoni hypothetical protein 0.0066 0.0131 0.0259
Loa Loa (eye worm) AGC/PKA protein kinase 0.0055 0.0045 0.0072
Leishmania major developmentally regulated phosphoprotein-like protein 0.014 0.0709 0.2306
Echinococcus multilocularis kinase protein 0.0096 0.0362 0.0879
Loa Loa (eye worm) hypothetical protein 0.0109 0.0464 0.0931
Trypanosoma brucei STE/STE11 serine/threonine-protein kinase, putative 0.0053 0.0034 0.011
Echinococcus multilocularis mitogen activated protein kinase 11 0.0156 0.083 0.2131
Brugia malayi Protein kinase domain containing protein 0.0407 0.2781 0.5649
Giardia lamblia Kinase, STE STE20 0.0266 0.1685 1
Echinococcus granulosus mitogen activated protein kinase 14 0.0156 0.083 0.0799
Echinococcus multilocularis mitogen activated protein kinase 14 0.0156 0.083 0.2131
Brugia malayi intracellular kinase 0.0064 0.0116 0.0147
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0237 0.146 0.3817
Echinococcus granulosus tyrosine kinase 0.0069 0.0156 0.0122
Schistosoma mansoni nephrin 0.0125 0.0587 0.1481
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.014 0.0709 0.1808
Entamoeba histolytica protein kinase, putative 0.0064 0.0116 0.6008
Echinococcus granulosus serine:threonine protein kinase N2 0.0304 0.1982 0.1954
Trypanosoma brucei protein kinase A catalytic subunit, putative 0.0055 0.0045 0.0147
Loa Loa (eye worm) hypothetical protein 0.014 0.0709 0.1433
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0094 0.0351 0.085
Echinococcus multilocularis rho associated protein kinase 0.0179 0.1011 0.2617
Schistosoma mansoni tyrosine kinase 0.0231 0.1417 0.3704
Echinococcus multilocularis cyclin dependent kinase 1 0.0058 0.0072 0.0101
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0126 0.0598 0.1943
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0074 0.0193 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0064 0.0116 0.0379
Onchocerca volvulus 0.0203 0.1193 0.266
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0096 0.0362 0.0879
Echinococcus multilocularis cyclin dependent kinase 0.0058 0.0072 0.0101
Brugia malayi MAP kinase sur-1 0.0126 0.0598 0.1141
Giardia lamblia Aurora kinase 0.0074 0.0193 0.0902
Toxoplasma gondii AGC kinase 0.0055 0.0045 0.0756
Schistosoma mansoni tyrosine kinase 0.0081 0.0245 0.0564
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.014 0.0709 0.0678
Schistosoma mansoni vesicular amine transporter 0.0095 0.0355 0.086
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0237 0.146 0.1431
Loa Loa (eye worm) hypothetical protein 0.0445 0.3075 0.6283
Loa Loa (eye worm) TK/FER protein kinase 0.0069 0.0156 0.0298
Echinococcus multilocularis ephrin type A receptor 4 A 0.0278 0.1783 0.4682
Echinococcus granulosus fibroblast growth factor receptor 4 0.0162 0.0875 0.0844
Echinococcus granulosus tyrosine protein kinase Fyn 0.0081 0.0245 0.0212
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0133 0.0654 0.166
Onchocerca volvulus 0.0069 0.0156 0.0096
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.014 0.0709 0.1808
Loa Loa (eye worm) TK/FER protein kinase 0.0069 0.0156 0.0298
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0058 0.0072 0.0233
Echinococcus granulosus dual specificity mitogen activated protein 0.0266 0.1685 0.1656
Plasmodium vivax protein kinase, putative 0.0055 0.005 0.0484
Leishmania major protein kinase A catalytic subunit isoform 2 0.0055 0.0045 0.0147
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0057 0.0061 0.1015
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0074 0.0193 1
Loa Loa (eye worm) TK/FER protein kinase 0.0069 0.0156 0.0298
Echinococcus granulosus cyclin dependent kinase 5 0.0058 0.0072 0.0038
Echinococcus granulosus epidermal growth factor receptor 0.0358 0.2403 0.2377
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0081 0.0245 0.0212
Brugia malayi serine/threonine-protein kinase 6 0.0074 0.0193 0.0305
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0193 0.0902
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0133 0.0654 0.0622
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0055 0.0045 0.0147
Onchocerca volvulus 0.0066 0.0131 0.0035
Plasmodium falciparum protein kinase 5 0.0058 0.0072 0.2369
Schistosoma mansoni cell adhesion molecule 0.0123 0.0578 0.1458
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0094 0.0351 0.085
Echinococcus granulosus mitogen activated protein kinase 3 0.0126 0.0598 0.0566
Brugia malayi Protein kinase domain containing protein 0.0487 0.3401 0.6929
Brugia malayi SRC-1 0.0081 0.0245 0.0412
Schistosoma mansoni tyrosine kinase 0.0081 0.0245 0.0564
Echinococcus granulosus cyclin dependent kinase 1 0.0058 0.0072 0.0038
Loa Loa (eye worm) TK/FER protein kinase 0.0069 0.0156 0.0298
Echinococcus granulosus c src tyrosine kinase 0.0081 0.0245 0.0212
Schistosoma mansoni tyrosine kinase 0.0225 0.1371 0.3579
Loa Loa (eye worm) thyroid receptor interactor 0.018 0.1016 0.2062
Trypanosoma cruzi cdc2-related kinase 3 0.0058 0.0072 0.0233
Entamoeba histolytica protein kinase domain containing protein 0.0064 0.0116 0.6008
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0058 0.0072 0.0126
Onchocerca volvulus 0.0069 0.0156 0.0096
Onchocerca volvulus 0.0171 0.095 0.2059
Echinococcus granulosus Immunoglobulin 0.0094 0.0351 0.0319
Schistosoma mansoni serine/threonine protein kinase 0.0074 0.0193 0.0426
Onchocerca volvulus 0.0069 0.0156 0.0096
Echinococcus granulosus tyrosine protein kinase Srms 0.0069 0.0156 0.0122
Loa Loa (eye worm) hypothetical protein 0.0203 0.1193 0.2426
Trypanosoma cruzi aurora B kinase, putative 0.0074 0.0193 0.0628
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0678 0.4889 1
Loa Loa (eye worm) TKL/MLK/TAK1 protein kinase 0.0133 0.0654 0.132
Brugia malayi SH2 domain containing protein 0.0069 0.0156 0.0228
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0055 0.0045 0.0011
Onchocerca volvulus 0.0069 0.0156 0.0096
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0193 0.0902
Echinococcus granulosus tyrosine protein kinase Lyn 0.0088 0.0306 0.0273
Echinococcus multilocularis Immunoglobulin 0.0094 0.0351 0.085
Brugia malayi hypothetical protein 0.0069 0.0156 0.0228
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0126 0.0598 0.1943
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0055 0.0045 0.0147
Trypanosoma brucei aurora B kinase 0.0074 0.0193 0.0628
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.0541 0.3821 0.7813
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0081 0.0245 0.0564
Schistosoma mansoni serine/threonine protein kinase 0.0057 0.0061 0.0074
Echinococcus multilocularis aurora kinase A 0.0074 0.0193 0.0426
Brugia malayi Protein kinase domain containing protein 0.0069 0.0156 0.0228
Entamoeba histolytica PH domain containing protein kinase, putative 0.0056 0.0058 0.2947
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0064 0.0116 0.0218
Loa Loa (eye worm) TK/ABL protein kinase 0.0069 0.0156 0.0298
Onchocerca volvulus 0.0069 0.0156 0.0096
Schistosoma mansoni tyrosine kinase 0.0407 0.2781 0.7355
Trypanosoma brucei cdc2-related kinase 1 0.0058 0.0072 0.0233
Echinococcus multilocularis tyrosine protein kinase Abl 0.0081 0.0245 0.0564
Schistosoma mansoni vesicular acetylcholine transporter 0.0534 0.377 1
Brugia malayi Protein kinase domain containing protein 0.0069 0.0156 0.0228
Loa Loa (eye worm) hypothetical protein 0.0066 0.0131 0.0247
Echinococcus multilocularis kinase protein 0.0096 0.0362 0.0879
Echinococcus multilocularis dual specificity mitogen activated protein 0.0266 0.1685 0.4419
Entamoeba histolytica protein kinase domain containing protein 0.0064 0.0116 0.6008
Loa Loa (eye worm) hypothetical protein 0.0066 0.0131 0.0247
Echinococcus multilocularis epidermal growth factor receptor 0.0277 0.1771 0.465
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0072 0.0161
Echinococcus multilocularis serine:threonine protein kinase N2 0.0337 0.2235 0.5891
Echinococcus granulosus MAM 0.0066 0.0131 0.0097
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0074 0.0193 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0058 0.0072 0.3666
Trypanosoma brucei mitogen-activated protein kinase kinase 5 0.0266 0.1685 0.5478
Brugia malayi vesicular acetylcholine transporter unc-17 0.0534 0.377 0.769
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0058 0.0072 0.0126
Loa Loa (eye worm) TK/EPH protein kinase 0.0304 0.1978 0.4035
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0064 0.0116 0.0083
Brugia malayi Protein kinase domain containing protein 0.0541 0.3821 0.7797
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0156 0.083 0.2699
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0156 0.083 0.2699
Schistosoma mansoni ephrin receptor 0.0059 0.0075 0.0111
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0045 0.0031
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0445 0.3075 1
Brugia malayi Hr1 repeat family protein 0.0337 0.2235 0.4521
Echinococcus multilocularis tyrosine kinase 0.0069 0.0156 0.0326
Echinococcus multilocularis mitogen activated protein kinase 11 0.0156 0.083 0.2131
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 2 0.0055 0.0045 0.0147
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0074 0.0193 1
Echinococcus multilocularis protein kinase shaggy 0.0064 0.0116 0.0221
Plasmodium falciparum glycogen synthase kinase 3 0.0064 0.0116 0.5191
Trypanosoma brucei C-8 sterol isomerase, putative 0.0445 0.3075 1
Entamoeba histolytica protein kinase, putative 0.0074 0.0193 1
Loa Loa (eye worm) STE/STE7/MEK1 protein kinase 0.0266 0.1685 0.3433
Schistosoma mansoni tyrosine kinase 0.0407 0.2781 0.7355
Echinococcus multilocularis mitogen activated protein kinase 3 0.0126 0.0598 0.1509
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0064 0.0116 0.0221
Brugia malayi Immunoglobulin I-set domain containing protein 0.0678 0.4889 1
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0064 0.0116 0.0221
Loa Loa (eye worm) hypothetical protein 0.0168 0.0927 0.188
Loa Loa (eye worm) AUR protein kinase 0.0074 0.0193 0.0375
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0069 0.0156 0.8044
Loa Loa (eye worm) hypothetical protein 0.0127 0.0608 0.1226
Echinococcus multilocularis tyrosine protein kinase shark 0.0319 0.2101 0.5533
Brugia malayi ephrin receptor 1 precursor 0.0141 0.0714 0.1381
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0069 0.0156 0.0326
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0193 0.0902
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0534 0.377 0.7706
Schistosoma mansoni tyrosine kinase 0.0358 0.2403 0.6342
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0053 0.0034 0.011
Loa Loa (eye worm) TK/FER protein kinase 0.0069 0.0156 0.0298
Trichomonas vaginalis STE family protein kinase 0.0266 0.1685 1
Echinococcus granulosus 3'partial|mitogen activated protein kinase kinase kinase 0.0096 0.0362 0.033
Giardia lamblia Kinase, CMGC MAPK 0.0126 0.0598 0.337
Entamoeba histolytica protein kinase domain containing protein 0.0074 0.0193 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0304 0.1982 0.5214
Echinococcus granulosus 5'partial|3'partial|mitogen activated protein kinase kinase kinase 0.0096 0.0362 0.033
Trichomonas vaginalis STE family protein kinase 0.0266 0.1685 1
Loa Loa (eye worm) AGC/PKA protein kinase 0.0055 0.0045 0.0072
Leishmania major protein kinase A catalytic subunit isoform 1 0.0055 0.0045 0.0147
Loa Loa (eye worm) TK/FER protein kinase 0.0069 0.0156 0.0298
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0069 0.0156 0.0326
Loa Loa (eye worm) AUR protein kinase 0.0074 0.0193 0.0375
Schistosoma mansoni pyruvate dehydrogenase 0.0132 0.0648 0.1645
Schistosoma mansoni serine/threonine protein kinase 0.0058 0.0072 0.0101
Loa Loa (eye worm) TK/EGFR protein kinase 0.0358 0.2403 0.4905
Echinococcus granulosus roundabout 2 0.0141 0.0711 0.068
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0126 0.0598 0.1205
Brugia malayi hypothetical protein 0.0107 0.0454 0.0845
Loa Loa (eye worm) TK protein kinase 0.0179 0.1008 0.2046
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0445 0.3075 0.6256
Echinococcus granulosus mitogen activated protein kinase 11 0.0156 0.083 0.0799
Brugia malayi serine/threonine kinase 12 0.0074 0.0193 0.0305
Echinococcus granulosus twitchin 0.0119 0.0546 0.0514
Schistosoma mansoni tyrosine kinase 0.0231 0.1417 0.3704
Echinococcus granulosus neuroglian 0.0111 0.0484 0.0452
Brugia malayi Protein kinase domain containing protein 0.0069 0.0156 0.0228
Brugia malayi Dual specificity mitogen-activated protein kinase kinase mek-2 0.0266 0.1685 0.3385
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0081 0.0245 0.0212
Schistosoma mansoni tyrosine kinase 0.0081 0.0245 0.0564
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0156 0.083 0.2699
Onchocerca volvulus 0.0079 0.0234 0.029
Onchocerca volvulus 0.0522 0.3679 0.8799
Echinococcus multilocularis vesicular acetylcholine transporter 0.0534 0.377 1
Schistosoma mansoni serine/threonine protein kinase 0.0126 0.0598 0.1509
Echinococcus granulosus epidermal growth factor receptor 0.0277 0.1771 0.1743
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0081 0.0245 0.0564
Echinococcus multilocularis insulin receptor 0.0407 0.2781 0.7355
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0055 0.0045 0.0031
Trypanosoma cruzi cdc2-related kinase 1 0.0058 0.0072 0.0233
Trypanosoma brucei cdc2-related kinase 3 0.0058 0.0072 0.0233
Onchocerca volvulus 0.0069 0.0156 0.0096
Toxoplasma gondii aurora kinase 0.0074 0.0193 0.3231
Loa Loa (eye worm) hypothetical protein 0.011 0.0475 0.0954
Schistosoma mansoni tyrosine kinase 0.0277 0.1771 0.465
Loa Loa (eye worm) TK protein kinase 0.0069 0.0156 0.0298
Echinococcus granulosus vesicular acetylcholine transporter 0.0534 0.377 0.3748
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0045 0.0031
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0055 0.0045 0.0031
Brugia malayi Immunoglobulin I-set domain containing protein 0.0107 0.0454 0.0845
Plasmodium falciparum serine/threonine protein kinase, putative 0.0074 0.0193 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0056 0.0058 0.2947
Schistosoma mansoni pyruvate dehydrogenase 0.0132 0.0648 0.1645
Trypanosoma brucei protein kinase, putative 0.0053 0.0034 0.011
Echinococcus multilocularis neuroglian 0.0111 0.0484 0.1205
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0058 0.0072 0.0126
Echinococcus multilocularis epidermal growth factor receptor 0.0358 0.2403 0.6342
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0063 0.0105 0.0191
Brugia malayi Protein kinase domain containing protein 0.0069 0.0156 0.0228
Brugia malayi protein-tyrosine kinase 0.0069 0.0156 0.0228
Loa Loa (eye worm) hypothetical protein 0.0227 0.1386 0.282
Onchocerca volvulus 0.0179 0.1011 0.2211
Echinococcus multilocularis Immunoglobulin 0.0094 0.0351 0.085
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0096 0.0362 0.0879
Brugia malayi kinase, mitochondrial precursor 0.014 0.0709 0.1371
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0069 0.0156 0.0122
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0126 0.0598 0.1943
Giardia lamblia Kinase, CMGC GSK 0.0064 0.0116 0.0435
Loa Loa (eye worm) TK/FER protein kinase 0.0069 0.0156 0.0298
Echinococcus granulosus tyrosine protein kinase Blk 0.0069 0.0156 0.0122
Trypanosoma brucei developmentally regulated phosphoprotein 0.014 0.0709 0.2306
Brugia malayi SH2 domain containing protein 0.0069 0.0156 0.0228
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0053 0.0034 0.011
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0162 0.0875 0.2253
Echinococcus multilocularis mitogen activated protein kinase 0.0126 0.0598 0.1509
Echinococcus granulosus protein kinase shaggy 0.0064 0.0116 0.0083
Echinococcus multilocularis cyclin dependent kinase 1 0.0058 0.0072 0.0101
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0126 0.0598 0.1943
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0081 0.0245 0.0564
Schistosoma mansoni pyruvate dehydrogenase 0.014 0.0709 0.1808
Schistosoma mansoni protein kinase 0.0074 0.0193 0.0426
Loa Loa (eye worm) hypothetical protein 0.0094 0.0351 0.07
Brugia malayi Protein kinase domain containing protein 0.0133 0.0654 0.1257
Toxoplasma gondii AGC kinase 0.0055 0.0045 0.0756
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0156 0.083 0.2699
Toxoplasma gondii protein kinase, cAMP-dependent, catalytic chain 0.0055 0.0045 0.0756
Plasmodium vivax glycogen synthase kinase 3, putative 0.0064 0.0116 0.4903

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 7.59 nM In vitro binding affinity to vesamicol receptor using [3H]-vesamicol. ChEMBL. 8057300
Ki (binding) = 7.59 nM In vitro binding affinity to vesamicol receptor using [3H]-vesamicol. ChEMBL. 8057300
Ki (binding) = 7.6 nM Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles ChEMBL. 9397171
Ki (binding) = 7.6 nM Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles ChEMBL. 9397171
Ki (binding) = 21 nM Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine ChEMBL. 9397171
Ki (binding) = 21 nM Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine ChEMBL. 9397171
Ki (binding) = 30 nM Sigma 2 binding assay was done rat liver membrane,by labelling the binding site with [3H]-DTG (DuPont-NEN) in the presence of [3H]-(+)-pentazocine (100 nM) ChEMBL. 9397171
Ki (binding) > 1000 nM In vitro binding affinity for D2/D3 receptors in rat striatal homogenates by [125I]-NCQ298 displacement. ChEMBL. 9397171
Log Ki (binding) = 0.88 Displacement of [3H]vesamicol from VAChT receptor in torpedo electrical organ synaptic vesicle ChEMBL. 18324757

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

3 literature references were collected for this gene.

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