Detailed information for compound 224240

Basic information

Technical information
  • TDR Targets ID: 224240
  • Name: 1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen- 1-yl)butyl]-3,3-dimethylpiperidine
  • MW: 329.519 | Formula: C22H35NO
  • H donors: 0 H acceptors: 0 LogP: 6.03 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc2c1CCCC2CCCCN1CCCC(C1)(C)C
  • InChi: 1S/C22H35NO/c1-22(2)14-8-16-23(17-22)15-5-4-9-18-10-6-12-20-19(18)11-7-13-21(20)24-3/h7,11,13,18H,4-6,8-10,12,14-17H2,1-3H3
  • InChiKey: WEUUSZNKIJMTMI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4-(5-methoxytetralin-1-yl)butyl]-3,3-dimethyl-piperidine
  • 1-[4-(5-methoxy-1-tetralinyl)butyl]-3,3-dimethylpiperidine
  • 1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-3,3-dimethyl-piperidine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Sigma opioid receptor Starlite/ChEMBL References
Cavia porcellus Sigma-1 receptor Starlite/ChEMBL References
Cavia porcellus 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei C-8 sterol isomerase, putative 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
Leishmania braziliensis 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
Leishmania donovani C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania infantum 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
Candida albicans sterol C8-C7 isomerase 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
Loa Loa (eye worm) hypothetical protein 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
Loa Loa (eye worm) hypothetical 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
Leishmania mexicana C-8 sterol isomerase-like protein 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
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase   229 aa 213 aa 21.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0052 0.0034
Echinococcus granulosus ceramide glucosyltransferase 0.0246 0.2692 0.3243
Entamoeba histolytica Ran family GTPase 0.0022 0.0151 0.0266
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0252 0.2076
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0122 0.1003
Onchocerca volvulus 0.0028 0.0219 0.0815
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0031 0.0252 0.5
Schistosoma mansoni 6-phosphofructokinase 0.0116 0.1212 0.1444
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0219 0.0219
Loa Loa (eye worm) hypothetical protein 0.002 0.0127 0.0127
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0127 0.0072
Brugia malayi Uncoordinated protein 44 0.0015 0.007 0.007
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0151 0.0154
Echinococcus granulosus lamin 0.0028 0.0219 0.0237
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0015 0.0067 0.0557
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0127 0.0072
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0015 0.007 0.007
Echinococcus multilocularis 0.0015 0.0067 0.0053
Echinococcus granulosus netrin receptor unc 5 0.0015 0.007 0.0056
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0219 0.0219
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0127 0.006
Echinococcus multilocularis dna polymerase kappa 0.002 0.0127 0.0126
Entamoeba histolytica hypothetical protein 0.0038 0.0332 0.1927
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0127 0.0127
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.0024 0.0024
Echinococcus granulosus dna polymerase eta 0.002 0.0127 0.0126
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0015 0.0072 0.0058
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0127 0.0072
Schistosoma mansoni inositol monophosphatase 0.0039 0.0343 0.0388
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0015 0.0067 0.0557
Leishmania major hypothetical protein, conserved 0.0166 0.1783 0.1727
Onchocerca volvulus 0.0166 0.1783 0.6624
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0052 0.0034
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0332 0.0374
Echinococcus multilocularis snurportin 1 0.0325 0.3586 0.433
Echinococcus granulosus Ankyrin 0.0015 0.0072 0.0058
Loa Loa (eye worm) hypothetical protein 0.0015 0.0072 0.0072
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0015 0.0067 0.0557
Echinococcus granulosus death domain containing protein 0.0015 0.007 0.0056
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0127 0.1052
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0252 0.2076
Schistosoma mansoni survival motor neuron protein 0.0051 0.0474 0.0547
Echinococcus multilocularis netrin receptor unc 5 0.0015 0.007 0.0056
Brugia malayi Cytochrome P450 family protein 0.0015 0.0067 0.0067
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0122 0.0122
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.0343 0.0388
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.1212 1
Brugia malayi Inositol-1 0.0039 0.0343 0.0343
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0242 0.0187
Toxoplasma gondii 6-phosphofructokinase 0.0031 0.0252 0.6677
Echinococcus granulosus 6 phosphofructokinase 0.0116 0.1212 0.1444
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0015 0.0067 0.0557
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0127 0.0072
Schistosoma mansoni cytochrome P450 0.0015 0.0067 0.0053
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0122 0.1003
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0039 0.0338 0.0382
Loa Loa (eye worm) hypothetical protein 0.0011 0.0024 0.0024
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0127 0.1052
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0015 0.0067 0.0557
Echinococcus multilocularis 6 phosphofructokinase 0.0116 0.1212 0.1444
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0015 0.0067 0.0557
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0332 0.0374
Schistosoma mansoni microtubule-associated protein tau 0.0735 0.825 1
Schistosoma mansoni ran 0.0022 0.0151 0.0154
Loa Loa (eye worm) cytochrome P450 0.0015 0.0067 0.0067
Echinococcus multilocularis ceramide glucosyltransferase 0.0246 0.2692 0.3243
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0015 0.0067 0.0557
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0166 0.1783 0.1727
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0039 0.0343 0.2832
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0122 0.0118
Brugia malayi Cytochrome P450 family protein 0.0024 0.0174 0.0174
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0.0252 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0332 0.0374
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 0.0343 0.2832
Loa Loa (eye worm) hypothetical protein 0.0338 0.3737 0.3737
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0015 0.0067 0.0557
Loa Loa (eye worm) hypothetical protein 0.003 0.0242 0.0242
Trichomonas vaginalis ran, putative 0.0022 0.0151 0.1242
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0122 0.1045
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0035 0.0296 0.2
Echinococcus granulosus lamin dm0 0.0028 0.0219 0.0237
Schistosoma mansoni ceramide glucosyltransferase 0.0246 0.2692 0.3243
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0127 0.0126
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0069 0.0069
Schistosoma mansoni ankyrin 23/unc44 0.0015 0.007 0.0056
Echinococcus multilocularis importin subunit beta 1 0.003 0.0242 0.0264
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0039 0.0343 1
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0015 0.0067 0.0557
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0116 0.1212 1
Brugia malayi isocitrate dehydrogenase 0.0017 0.0085 0.0085
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0151 0.0084
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0127 0.006
Brugia malayi Cytochrome P450 family protein 0.0056 0.0529 0.0529
Brugia malayi Cytochrome P450 family protein 0.0024 0.0174 0.0174
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0031 0.0252 0.1193
Loa Loa (eye worm) hypothetical protein 0.0455 0.506 0.506
Toxoplasma gondii phosphofructokinase PFKII 0.0031 0.0252 0.6677
Giardia lamblia Ceramide glucosyltransferase 0.0112 0.1164 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0474 0.0474
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0325 0.3586 0.3586
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0252 0.2076
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0343 0.0278
Schistosoma mansoni ceramide glucosyltransferase 0.0246 0.2692 0.3243
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.0085 0.0705
Brugia malayi hypothetical protein 0.0038 0.0332 0.0332
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0015 0.0067 0.0557
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0015 0.0067 0.0557
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0252 0.2076
Onchocerca volvulus Netrin receptor homolog 0.0015 0.007 0.0261
Trypanosoma cruzi Emopamil binding protein, putative 0.0166 0.1783 0.1727
Trypanosoma cruzi Emopamil binding protein, putative 0.0166 0.1783 0.1727
Echinococcus multilocularis survival motor neuron protein 1 0.025 0.2731 0.3291
Echinococcus granulosus intermediate filament protein 0.0028 0.0219 0.0237
Entamoeba histolytica phosphofructokinase, putative 0.0116 0.1212 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0122 0.0066
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0343 0.2832
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0015 0.0067 0.0557
Loa Loa (eye worm) hypothetical protein 0.0013 0.0046 0.0046
Echinococcus multilocularis musashi 0.0028 0.0219 0.0237
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0122 0.0054
Plasmodium falciparum importin beta, putative 0.003 0.0242 0.9409
Brugia malayi cytochrome P450 0.0015 0.0067 0.0067
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0122 0.2171
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0015 0.0067 0.0557
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0127 0.006
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0122 0.0054
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0.0252 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0127 0.0127
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0242 0.6321
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0252 0.2076
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.0529 0.0529
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0015 0.0067 0.0557
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0024 0.0174 0.1432
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0085 0.0085
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0085 0.0654
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0127 0.0072
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0039 0.0338 0.0338
Echinococcus multilocularis Ankyrin 0.0015 0.0072 0.0058
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.0296 0.2445
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0085 0.0075
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0031 0.0252 0.1193
Echinococcus granulosus microtubule associated protein 2 0.0735 0.825 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0151 0.0151
Trypanosoma brucei C-8 sterol isomerase, putative 0.0889 1 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0116 0.1212 0.1212
Loa Loa (eye worm) hypothetical protein 0.0028 0.0219 0.0219
Schistosoma mansoni hypothetical protein 0.0325 0.3586 0.433
Entamoeba histolytica hypothetical protein 0.0038 0.0332 0.1927
Loa Loa (eye worm) hypothetical protein 0.0013 0.0046 0.0046
Leishmania major DNA polymerase kappa, putative 0.002 0.0127 0.006
Entamoeba histolytica phosphofructokinase, putative 0.0116 0.1212 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0174 0.0174
Brugia malayi Death domain containing protein 0.0015 0.007 0.007
Schistosoma mansoni importin beta-1 0.003 0.0242 0.0264
Loa Loa (eye worm) inositol-1 0.0039 0.0343 0.0343
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0176 0.011
Loa Loa (eye worm) ceramide glucosyltransferase 0.0246 0.2692 0.2692
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0166 0.1783 0.1727
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0127 0.1052
Echinococcus granulosus nuclear factor of activated T cells 5 0.0078 0.0788 0.0928
Onchocerca volvulus 0.0051 0.0474 0.1762
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.0343 0.2033
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0343 0.0278
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0122 0.1003
Trypanosoma brucei Emopamil binding protein, putative 0.0166 0.1783 0.1737
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0127 0.0072
Leishmania major importin beta-1 subunit, putative 0.0025 0.0176 0.011
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0122 0.1003
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0176 0.1455
Leishmania major DNA polymerase eta, putative 0.002 0.0127 0.006
Brugia malayi 6-phosphofructokinase 0.0116 0.1212 0.1212
Schistosoma mansoni lamin 0.0028 0.0219 0.0237
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0151 0.1293
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0889 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.1212 1
Schistosoma mansoni intermediate filament proteins 0.0028 0.0219 0.0237
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0015 0.0067 0.0557
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0015 0.0067 0.0557
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.007 0.007
Toxoplasma gondii exonuclease III APE 0.002 0.0122 0.1962
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0151 0.0084
Onchocerca volvulus 0.0028 0.0219 0.0815
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0015 0.0067 0.0557
Entamoeba histolytica phosphofructokinase, putative 0.0116 0.1212 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0127 0.1052
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0127 0.1052
Entamoeba histolytica hypothetical protein 0.0025 0.0176 0.0503
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0085 0.0075
Trypanosoma brucei unspecified product 0.002 0.0127 0.0072
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.0379 0.0431
Echinococcus multilocularis microtubule associated protein 2 0.0735 0.825 1
Schistosoma mansoni hypothetical protein 0.0051 0.0474 0.0547
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0015 0.0067 0.0557
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0219 0.0219
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0015 0.0067 0.0557
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0015 0.0067 0.0557
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0127 0.0072
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0015 0.0067 0.0012
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0085 0.0085
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0127 0.0072
Brugia malayi Protein kinase domain containing protein 0.0015 0.007 0.007
Entamoeba histolytica hypothetical protein 0.0038 0.0332 0.1927
Giardia lamblia DINP protein human, muc B family 0.002 0.0127 0.1095
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.0343 1
Loa Loa (eye worm) hypothetical protein 0.025 0.2731 0.2731
Schistosoma mansoni hypothetical protein 0.0015 0.0067 0.0053
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0039 0.0338 0.0382
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0127 0.0072
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0078 0.0788 0.0928
Brugia malayi 6-phosphofructokinase 0.0116 0.1212 0.1212
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0039 0.0338 0.0338
Leishmania major 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0166 0.1783 0.1727
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0085 0.0018
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.0309 0.2551
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0085 0.0018
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0015 0.0067 0.0557
Loa Loa (eye worm) hypothetical protein 0.0009 0.0002 0.0002
Echinococcus granulosus dna polymerase kappa 0.002 0.0127 0.0126
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.0379 0.0431
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0127 0.0126
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0085 0.0075
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0015 0.0067 0.0557
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0242 0.0187
Brugia malayi phosphofructokinase 0.0116 0.1212 0.1212
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0127 0.0072
Echinococcus granulosus survival motor neuron protein 1 0.025 0.2731 0.3291
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0127 0.1052
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0151 0.0154
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0015 0.0067 0.0557
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0015 0.0067 0.0557
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0343 0.0289
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0252 0.2076
Brugia malayi hypothetical protein 0.013 0.137 0.137
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0116 0.1212 0.1163
Leishmania major GTP-binding protein, putative 0.0022 0.0151 0.0084
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0174 0.0107
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0127 0.0054
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0031 0.0252 0.6677
Loa Loa (eye worm) hypothetical protein 0.0028 0.0213 0.0213
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0151 0.3914
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0343 0.2832
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.0309 0.2551
Schistosoma mansoni lamin 0.0028 0.0219 0.0237
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0015 0.0067 0.0557
Leishmania major cytochrome p450-like protein 0.0024 0.0174 0.0107
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0085 0.0075
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0174 0.0174
Schistosoma mansoni inositol monophosphatase 0.0039 0.0343 0.0388
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0015 0.0067 0.0557
Loa Loa (eye worm) hypothetical protein 0.0034 0.028 0.028
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0085 0.0075
Echinococcus granulosus importin subunit beta 1 0.003 0.0242 0.0264
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0015 0.0067 0.0557
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0085 0.003
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0015 0.0067 0.0557
Loa Loa (eye worm) hypothetical protein 0.0014 0.0052 0.0052
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0122 0.0054
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0151 0.3914
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0127 0.0072
Brugia malayi hypothetical protein 0.025 0.2731 0.2731
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0015 0.0067 0.0557
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0127 0.006
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0127 0.006
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0151 0.3012
Trypanosoma brucei cytochrome P450, putative 0.0024 0.0174 0.0119
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0015 0.0067 0.0557
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0015 0.0067 0.0557
Plasmodium vivax importin-beta 2, putative 0.003 0.0242 0.9409
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0015 0.0067 0.0557
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.0246 0.2692 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0127 0.0126
Schistosoma mansoni hypothetical protein 0.0038 0.0332 0.0374
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0015 0.0067 0.0557
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0069 0.0069
Echinococcus granulosus snurportin 1 0.0325 0.3586 0.433
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0127 0.0126
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0085 0.003
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.1212 1
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0015 0.007 0.0056
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0122 0.2171
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0015 0.0067 0.0557
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0116 0.1212 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0176 0.1455
Schistosoma mansoni netrin receptor unc5 0.0015 0.007 0.0056
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0151 0.0095
Schistosoma mansoni ran 0.0022 0.0151 0.0154
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0127 0.0127
Schistosoma mansoni DNA polymerase eta 0.002 0.0127 0.0126
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0127 0.0072
Loa Loa (eye worm) phosphofructokinase 0.0116 0.1212 0.1212
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0015 0.0067 0.0557
Leishmania major ATP-dependent phosphofructokinase 0.0116 0.1212 0.1152
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0015 0.0067 0.0557
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0151 0.0151
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0127 0.0072
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0015 0.0067 0.0557
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0015 0.0067 0.0557
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0.0252 1
Schistosoma mansoni 6-phosphofructokinase 0.0116 0.1212 0.1444
Schistosoma mansoni ap endonuclease 0.002 0.0122 0.0118
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0343 0.0278
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0085 0.0654
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0127 0.0072
Loa Loa (eye worm) 6-phosphofructokinase 0.0116 0.1212 0.1212
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0127 0.006
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0085 0.0018
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0031 0.0252 0.5
Brugia malayi Importin beta-1 subunit 0.003 0.0242 0.0242
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0085 0.0075
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0.0252 1
Mycobacterium ulcerans 6-phosphofructokinase 0.0116 0.1212 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.007 0.007
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0122 0.0122
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0031 0.0252 0.2162
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0015 0.0067 0.0557
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0176 0.1455
Brugia malayi RNA, U transporter 1 0.0087 0.0879 0.0879
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0085 0.0075
Echinococcus multilocularis lamin dm0 0.0028 0.0219 0.0237
Loa Loa (eye worm) CYP4Cod1 0.0024 0.0174 0.0174
Brugia malayi intermediate filament protein 0.0028 0.0219 0.0219
Echinococcus granulosus cytochrome P450 2K1 0.0015 0.0067 0.0053
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0031 0.0252 0.2076
Schistosoma mansoni hypothetical protein 0.0015 0.007 0.0056
Schistosoma mansoni ap endonuclease 0.002 0.0122 0.0118
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.0343 0.0388
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0174 0.0107
Brugia malayi Ceramide glucosyltransferase 0.0246 0.2692 0.2692
Loa Loa (eye worm) hypothetical protein 0.0889 1 1
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0116 0.1212 1
Echinococcus multilocularis lamin 0.0028 0.0219 0.0237
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0015 0.0067 0.0557
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0122 0.0118
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0015 0.007 0.0056
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0116 0.1212 0.1152
Entamoeba histolytica hypothetical protein 0.0038 0.0332 0.1927
Leishmania major C-8 sterol isomerase-like protein 0.0889 1 1
Echinococcus multilocularis dna polymerase eta 0.002 0.0127 0.0126
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.1212 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 129 nM Evaluated for the binding affinity towards sigma 2 receptor by displacing the radioligand [3H]-DTG in guinea-pig brain cortex. ChEMBL. 9767631
IC50 (binding) = 978 nM Evaluated for the binding affinity towards sigma 1 receptor by displacing the radioligand [3H]-SKF- 10047 in whole rat brain membrane. ChEMBL. 9767631
IC50 (binding) = 978 nM Evaluated for the binding affinity towards sigma 1 receptor by displacing the radioligand [3H]-SKF- 10047 in whole rat brain membrane. ChEMBL. 9767631
Ki (binding) = 0.67 nM Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes ChEMBL. 22075234
Ki (binding) = 2.12 nM Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum ChEMBL. 22075234
Ratio (binding) = 8 IC50 ratio; sigma 1 to sigma 2 ChEMBL. 9767631
Ratio (binding) = 8 IC50 ratio; sigma 1 to sigma 2 ChEMBL. 9767631

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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