Detailed information for compound 1361036

Basic information

Technical information
  • TDR Targets ID: 1361036
  • Name: (1-butyl-1-azoniabicyclo[2.2.2]octan-8-yl)-di phenylmethanol bromide
  • MW: 430.421 | Formula: C24H32BrNO
  • H donors: 1 H acceptors: 1 LogP: 5.6 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC[N+]12CCC(CC1)C(C2)C(c1ccccc1)(c1ccccc1)O.[Br-]
  • InChi: 1S/C24H32NO.BrH/c1-2-3-16-25-17-14-20(15-18-25)23(19-25)24(26,21-10-6-4-7-11-21)22-12-8-5-9-13-22;/h4-13,20,23,26H,2-3,14-19H2,1H3;1H/q+1;/p-1
  • InChiKey: LXITWNRLQHXILP-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

  • (1-butylquinuclidin-1-ium-3-yl)-diphenyl-methanol bromide
  • (1-butyl-3-quinuclidin-1-iumyl)-diphenylmethanol bromide
  • (1-butyl-1-azoniabicyclo[2.2.2]octan-8-yl)-diphenyl-methanol bromide
  • 1-Butyl-3-(hydroxy-diphenyl-methyl)-1-azonia-bicyclo[2.2.2]octane
  • MLS001029484
  • SMR000425518

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APOBEC3A and APOBEC3B deletion hybrid Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi BRCA1-associated protein 2 containing protein 0.006 0.0119 0.0105
Trypanosoma brucei histone deacetylase 4 0.337 0.9825 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.002 0.1443
Leishmania major histone deacetylase, putative 0.337 0.9825 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.006 0.0119 0.0105
Echinococcus multilocularis histone deacetylase 6 0.337 0.9825 0.9824
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.0342 0.0294
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0136 0.0342 0.0348
Echinococcus multilocularis tumor protein p63 0.037 0.103 0.0985
Trypanosoma brucei histone deacetylase 1 0.2446 0.7117 0.7239
Trichomonas vaginalis chromobox protein, putative 0.0077 0.0171 0.0193
Loa Loa (eye worm) beta-lactamase 0.0036 0.005 0.005
Plasmodium vivax histone deacetylase 1, putative 0.2446 0.7117 0.7243
Echinococcus multilocularis histone deacetylase 7 0.337 0.9825 0.9824
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0414 0.1158 0.1114
Entamoeba histolytica protein kinase domain containing protein 0.0414 0.1158 0.1604
Mycobacterium tuberculosis Conserved protein 0.0036 0.005 0.0799
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.006 0.0119 0.014
Brugia malayi histone deacetylase 11 0.1505 0.4359 0.4427
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0064 0.0132 0.0118
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0134 0.0337 0.0289
Trypanosoma brucei histone deacetylase 3 0.337 0.9825 1
Trypanosoma brucei Zn-finger in ubiquitin-hydrolases and other protein, putative 0.006 0.0119 0.0105
Trypanosoma cruzi histone deacetylase 1, putative 0.2446 0.7117 0.7239
Plasmodium vivax hypothetical protein, conserved 0.0036 0.005 0.005
Onchocerca volvulus 0.0414 0.1158 0.3561
Plasmodium falciparum histone deacetylase 2 0.337 0.9825 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.002 0.1443
Loa Loa (eye worm) hypothetical protein 0.0026 0.002 0.0019
Loa Loa (eye worm) histone deacetylase 1 0.2446 0.7117 0.7243
Brugia malayi AMP-binding enzyme family protein 0.0026 0.002 0.0003
Onchocerca volvulus 0.0036 0.005 0.0154
Echinococcus granulosus chromobox protein 1 0.0077 0.0171 0.0122
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0064 0.0132 0.0083
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.002 0.1443
Toxoplasma gondii ubiquitin specific protease 39 isoform 2, putative 0.006 0.0119 0.0105
Mycobacterium ulcerans hypothetical protein 0.0036 0.005 0.3751
Leishmania major histone deacetylase, putative 0.337 0.9825 1
Trichomonas vaginalis chromobox protein, putative 0.0077 0.0171 0.0193
Schistosoma mansoni hypothetical protein 0.1055 0.3038 0.3003
Plasmodium vivax histone deacetylase, putative 0.1505 0.4359 0.4436
Schistosoma mansoni chromobox protein 0.0077 0.0171 0.0122
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0134 0.0337 0.0289
Loa Loa (eye worm) hypothetical protein 0.0036 0.005 0.005
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0072 0.0052
Brugia malayi Histone deacetylase family protein 0.337 0.9825 1
Schistosoma mansoni histone deacetylase 1 2 3 0.1128 0.3252 0.3218
Trichomonas vaginalis esterase, putative 0.0036 0.005 0.0022
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.005 0.0799
Loa Loa (eye worm) histone deacetylase 0.337 0.9825 1
Brugia malayi histone deacetylase 1 (HD1) 0.2446 0.7117 0.7239
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0134 0.0337 0.0289
Trichomonas vaginalis histone deacetylase, putative 0.2446 0.7117 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0016 0.0016
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.005 0.0034
Echinococcus multilocularis histone deacetylase 3 0.2446 0.7117 0.7102
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.005 0.0022
Schistosoma mansoni chromobox protein 0.0077 0.0171 0.0122
Entamoeba histolytica histone deacetylase, putative 0.2446 0.7117 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0423 0.1185 0.1192
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0134 0.0337 0.0289
Trypanosoma cruzi Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.006 0.0119 0.0105
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.0148 0.0134
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.005 0.0799
Trypanosoma cruzi Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.006 0.0119 0.0105
Leishmania major hypothetical protein, conserved 0.006 0.0119 0.0105
Trypanosoma cruzi histone deacetylase, putative 0.1128 0.3252 0.3299
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.006 0.0119 0.0105
Echinococcus granulosus GPCR family 2 0.0134 0.0337 0.0289
Brugia malayi beta-lactamase family protein 0.0036 0.005 0.0034
Echinococcus granulosus Solute carrier family 22 5 0.1018 0.2929 0.2893
Echinococcus multilocularis histone deacetylase 6 0.337 0.9825 0.9824
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.0342 0.0294
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.002 0.0003
Schistosoma mansoni brca1-associated protein (brap2) 0.006 0.0119 0.007
Brugia malayi hypothetical protein 0.0365 0.1015 0.1018
Schistosoma mansoni histone deacetylase 0.2446 0.7117 0.7102
Trichomonas vaginalis CMGC family protein kinase 0.0414 0.1158 0.1586
Onchocerca volvulus Histone deacetylase 10 homolog 0.1128 0.3252 1
Echinococcus granulosus histone deacetylase 8 0.1128 0.3252 0.3218
Schistosoma mansoni histone deacetylase hda2 0.1128 0.3252 0.3218
Echinococcus granulosus histone deacetylase 3 0.2446 0.7117 0.7102
Brugia malayi Histone deacetylase 1 0.2446 0.7117 0.7239
Echinococcus granulosus histone deacetylase 6 0.337 0.9825 0.9824
Leishmania major hypothetical protein, conserved 0.0036 0.005 0.0034
Brugia malayi MH2 domain containing protein 0.024 0.0648 0.0644
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.005 0.0799
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0064 0.0132 0.0083
Toxoplasma gondii ABC1 family protein 0.0036 0.005 0.0034
Echinococcus granulosus neuropeptide receptor A26 0.0461 0.1295 0.1251
Schistosoma mansoni hypothetical protein 0.0134 0.0337 0.0289
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.002 0.1443
Trichomonas vaginalis histone deacetylase, putative 0.2446 0.7117 1
Onchocerca volvulus 0.0365 0.1015 0.312
Mycobacterium leprae Probable lipase LipE 0.0036 0.005 1
Trypanosoma brucei Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.006 0.0119 0.0105
Schistosoma mansoni hypothetical protein 0.0289 0.0793 0.0746
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.002 0.0307
Loa Loa (eye worm) hypothetical protein 0.0054 0.0104 0.0105
Onchocerca volvulus 0.0034 0.0044 0.0136
Echinococcus multilocularis neuropeptide s receptor 0.0461 0.1295 0.1251
Loa Loa (eye worm) hypothetical protein 0.0026 0.002 0.0019
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.2816 0.278
Trichomonas vaginalis histone deacetylase, putative 0.2446 0.7117 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.006 0.0119 0.0105
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.006 0.0119 0.012
Onchocerca volvulus 0.0026 0.002 0.0061
Mycobacterium ulcerans hypothetical protein 0.0026 0.002 0.1443
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 5 0.006 0.0119 0.007
Loa Loa (eye worm) BRCA1-associated protein 2 containing protein 0.006 0.0119 0.0121
Brugia malayi Heterochromatin protein 1 0.0077 0.0171 0.0158
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.006 0.0119 0.0121
Trypanosoma brucei protein kinase, putative 0.0414 0.1158 0.1164
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.0148 0.015
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.005 0.0799
Plasmodium falciparum ubiquitin carboxyl-terminal hydrolase, putative 0.006 0.0119 0.0121
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0072 0.0221
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.005 0.0034
Echinococcus granulosus geminin 0.1055 0.3038 0.3003
Loa Loa (eye worm) RNA binding protein 0.0069 0.0148 0.015
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.0342 0.0294
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.002 0.1443
Mycobacterium leprae conserved hypothetical protein 0.0036 0.005 1
Loa Loa (eye worm) hypothetical protein 0.0377 0.1051 0.1069
Trichomonas vaginalis brca1-associated protein, putative 0.006 0.0119 0.012
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.005 0.0034
Onchocerca volvulus 0.0036 0.005 0.0154
Loa Loa (eye worm) hypothetical protein 0.0365 0.1015 0.1032
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.0132 1
Schistosoma mansoni hypothetical protein 0.1055 0.3038 0.3003
Plasmodium vivax histone deacetylase 2, putative 0.337 0.9825 1
Schistosoma mansoni histone deacetylase 0.2446 0.7117 0.7102
Echinococcus multilocularis tar DNA binding protein 0.0069 0.0148 0.0099
Brugia malayi RNA binding protein 0.0069 0.0148 0.0134
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase 5, putative 0.006 0.0119 0.014
Brugia malayi AMP-binding enzyme family protein 0.0026 0.002 0.0003
Echinococcus granulosus histone deacetylase 7 0.337 0.9825 0.9824
Echinococcus multilocularis GPCR, family 2 0.0134 0.0337 0.0289
Schistosoma mansoni ubiquitin-specific peptidase 44 (C19 family) 0.006 0.0119 0.007
Loa Loa (eye worm) hypothetical protein 0.0043 0.0072 0.0072
Schistosoma mansoni hypothetical protein 0.0134 0.0337 0.0289
Leishmania major histone deacetylase, putative 0.2446 0.7117 0.7239
Loa Loa (eye worm) hypothetical protein 0.2302 0.6693 0.6812
Plasmodium vivax glycogen synthase kinase 3, putative 0.0414 0.1158 0.1178
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0148 0.0099
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0016 0.0016
Mycobacterium tuberculosis Conserved protein 0.0036 0.005 0.0799
Loa Loa (eye worm) heterochromatin protein 1 0.0077 0.0171 0.0174
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0148 0.0099
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0148 0.0099
Trypanosoma cruzi histone deacetylase, putative 0.337 0.9825 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0016 0.0016
Leishmania major hypothetical protein, conserved 0.006 0.0119 0.0105
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0414 0.1158 0.1114
Echinococcus multilocularis chromobox protein 1 0.0077 0.0171 0.0122
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.0618 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.2446 0.7117 1
Schistosoma mansoni family C19 non-peptidase homologue (C19 family) 0.006 0.0119 0.007
Echinococcus granulosus chromobox protein 1 0.0077 0.0171 0.0122
Schistosoma mansoni ubiquitin-specific peptidase 5 (C19 family) 0.006 0.0119 0.007
Schistosoma mansoni histone deacetylase hda2 0.343 1 1
Trichomonas vaginalis histone deacetylase, putative 0.2446 0.7117 1
Loa Loa (eye worm) transcription factor SMAD2 0.024 0.0648 0.0659
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.006 0.0119 0.012
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.006 0.0119 0.0121
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.0342 0.0294
Trypanosoma brucei histone deacetylase 2 0.1128 0.3252 0.3299
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0134 0.0337 0.0327
Toxoplasma gondii UBA/TS-N domain-containing protein 0.006 0.0119 0.0105
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.005 0.0022
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0081 0.0066
Loa Loa (eye worm) hypothetical protein 0.0134 0.0337 0.0342
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 22 0.006 0.0119 0.007
Brugia malayi AMP-binding enzyme family protein 0.0026 0.002 0.0003
Plasmodium falciparum glycogen synthase kinase 3 0.0414 0.1158 0.1178
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.005 0.0022
Mycobacterium ulcerans beta-lactamase 0.0036 0.005 0.3751
Brugia malayi beta-lactamase family protein 0.0036 0.005 0.0034
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.0342 0.0294
Loa Loa (eye worm) histone deacetylase 7A 0.337 0.9825 1
Echinococcus multilocularis protein kinase shaggy 0.0414 0.1158 0.1114
Plasmodium falciparum ubiquitin carboxyl-terminal hydrolase 13, putative 0.006 0.0119 0.0121
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0081 0.025
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0001 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.005 0.0022
Loa Loa (eye worm) ubiquitin specific peptidase 39 0.006 0.0119 0.0121
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.005 0.0034
Giardia lamblia Kinase, CMGC GSK 0.0414 0.1158 0.1484
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.0342 0.0294
Toxoplasma gondii Zn-finger in ubiquitin-hydrolases domain-containing protein 0.006 0.0119 0.0105
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0016 0.0016
Schistosoma mansoni hypothetical protein 0.0134 0.0337 0.0289
Trypanosoma brucei histone deacetylase, putative 0.337 0.9825 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.002 0.1443
Schistosoma mansoni brca1-associated protein (brap2) 0.006 0.0119 0.007
Echinococcus granulosus neuropeptide s receptor 0.0461 0.1295 0.1251
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.2446 0.7117 1
Plasmodium vivax histone deacetylase, putative 0.337 0.9825 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.005 0.005
Mycobacterium tuberculosis Conserved protein 0.0036 0.005 0.0799
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0064 0.0132 0.0083
Trichomonas vaginalis CMGC family protein kinase 0.0414 0.1158 0.1586
Onchocerca volvulus 0.0054 0.0104 0.0319
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0081 0.0066
Echinococcus granulosus tar DNA binding protein 0.0069 0.0148 0.0099
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.0132 1
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0414 0.1158 0.1164
Loa Loa (eye worm) hypothetical protein 0.0026 0.002 0.0019
Echinococcus multilocularis chromobox protein 1 0.0077 0.0171 0.0122
Plasmodium vivax hypothetical protein, conserved 0.006 0.0119 0.0121
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0099 0.01
Brugia malayi chromobox protein homolog 3 0.0043 0.0072 0.0056
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.005 0.005
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 22 0.006 0.0119 0.007
Plasmodium vivax U4/U6.U5 tri-snRNP-associated protein 2, putative 0.006 0.0119 0.0121
Loa Loa (eye worm) hypothetical protein 0.2242 0.6518 0.6634
Brugia malayi Histone deacetylase family protein 0.337 0.9825 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0148 0.0099
Loa Loa (eye worm) latrophilin receptor protein 2 0.0134 0.0337 0.0342
Loa Loa (eye worm) histone deacetylase 3 0.2446 0.7117 0.7243
Loa Loa (eye worm) hypothetical protein 0.1128 0.3252 0.3309
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0072 0.0052
Toxoplasma gondii histone deacetylase HDAC5 0.1128 0.3252 0.3299
Echinococcus multilocularis geminin 0.1055 0.3038 0.3003
Brugia malayi TAR-binding protein 0.0069 0.0148 0.0134
Echinococcus granulosus BRCA1 associated protein 0.006 0.0119 0.007
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0064 0.0132 0.0118
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0414 0.1158 0.1178
Trypanosoma cruzi histone deacetylase, putative 0.337 0.9825 1
Schistosoma mansoni histone deacetylase 4 5 0.337 0.9825 0.9824
Echinococcus multilocularis neuropeptide receptor A26 0.0461 0.1295 0.1251
Echinococcus granulosus protein kinase shaggy 0.0414 0.1158 0.1114
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0136 0.0342 0.0332
Echinococcus multilocularis histone deacetylase 0.337 0.9825 0.9824
Entamoeba histolytica protein kinase, putative 0.0414 0.1158 0.1604
Echinococcus multilocularis histone deacetylase 1 0.2446 0.7117 0.7102
Echinococcus multilocularis BRCA1 associated protein 0.006 0.0119 0.007
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.006 0.0119 0.0121
Brugia malayi latrophilin 2 splice variant baaae 0.0289 0.0793 0.0792
Mycobacterium ulcerans lipase LipD 0.0036 0.005 0.3751
Onchocerca volvulus Uncharacterized RING finger protein homolog 0.006 0.0119 0.0367
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.0104 0.0054
Plasmodium vivax ubiquitin carboxyl-terminal hydrolase 13, putative 0.006 0.0119 0.0121
Loa Loa (eye worm) hypothetical protein 0.2446 0.7117 0.7243
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.002 0.1443
Echinococcus multilocularis histone deacetylase 6 0.343 1 1
Giardia lamblia Histone deacetylase 0.2446 0.7117 1
Trypanosoma cruzi Zn-finger in ubiquitin-hydrolases and other protein, putative 0.006 0.0119 0.0105
Plasmodium falciparum U4/U6.U5 tri-snRNP-associated protein 2, putative 0.006 0.0119 0.0121
Echinococcus multilocularis histone deacetylase 8 0.1128 0.3252 0.3218
Trypanosoma cruzi histone deacetylase, putative 0.1128 0.3252 0.3299
Loa Loa (eye worm) hypothetical protein 0.0036 0.005 0.005
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.005 0.3751
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.005 0.0799
Echinococcus granulosus histone deacetylase 6 0.337 0.9825 0.9824
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.006 0.0119 0.012
Brugia malayi beta-lactamase 0.0036 0.005 0.0034
Loa Loa (eye worm) TAR-binding protein 0.0069 0.0148 0.015
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0064 0.0132 0.213
Trichomonas vaginalis BRCA1-associated protein, putative 0.006 0.0119 0.012
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.002 0.0003
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.006 0.0119 0.0105
Giardia lamblia Kinase, CMGC GSK 0.0414 0.1158 0.1484
Plasmodium falciparum histone deacetylase, putative 0.337 0.9825 1
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0414 0.1158 0.1114
Trichomonas vaginalis histone deacetylase, putative 0.2446 0.7117 1
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.005 0.0799
Schistosoma mansoni hypothetical protein 0.0134 0.0337 0.0289
Echinococcus granulosus histone deacetylase 0.337 0.9825 0.9824
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.002 0.0003
Echinococcus multilocularis u4:u6.u5 tri snrnp associated protein 2 0.006 0.0119 0.007
Echinococcus granulosus histone deacetylase 1 0.2446 0.7117 0.7102
Trypanosoma cruzi histone deacetylase 1, putative 0.2446 0.7117 0.7239
Onchocerca volvulus 0.0036 0.005 0.0154
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0414 0.1158 0.1164
Toxoplasma gondii histone deacetylase HDAC1 0.337 0.9825 1
Echinococcus granulosus tumor protein p63 0.037 0.103 0.0985
Plasmodium falciparum histone deacetylase 1 0.2446 0.7117 0.7243
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0148 0.0099
Loa Loa (eye worm) hypothetical protein 0.0034 0.0044 0.0044
Brugia malayi intracellular kinase 0.0414 0.1158 0.1164
Loa Loa (eye worm) hypothetical protein 0.0289 0.0793 0.0806
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.0342 0.0294
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.005 0.3751
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0423 0.1185 0.1206
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.006 0.0119 0.012
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.006 0.0119 0.014
Echinococcus granulosus u4:u6.u5 tri snrnp associated protein 2 0.006 0.0119 0.007
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0414 0.1158 0.1164
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.005 0.0799
Loa Loa (eye worm) hypothetical protein 0.0036 0.005 0.005
Leishmania major histone deacetylase, putative 0.2446 0.7117 0.7239
Toxoplasma gondii histone deacetylase HDAC3 0.2446 0.7117 0.7239
Trypanosoma cruzi histone deacetylase, putative 0.337 0.9825 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.006 0.0119 0.0105
Loa Loa (eye worm) hypothetical protein 0.0036 0.005 0.005
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.002 0.0307
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.006 0.0119 0.012
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.2446 0.7117 1
Toxoplasma gondii histone deacetylase HDAC2 0.2446 0.7117 0.7239
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.005 0.0022
Loa Loa (eye worm) hypothetical protein 0.0036 0.005 0.005
Trichomonas vaginalis histone deacetylase, putative 0.2446 0.7117 1
Brugia malayi histone deacetylase 3 (HD3) 0.2446 0.7117 0.7239
Schistosoma mansoni histone deacetylase 4 5 0.337 0.9825 0.9824
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.006 0.0119 0.0105
Toxoplasma gondii histone deacetylase HDAC4 0.1505 0.4359 0.4427
Loa Loa (eye worm) MH2 domain-containing protein 0.024 0.0648 0.0659
Loa Loa (eye worm) hypothetical protein 0.0423 0.1185 0.1206
Entamoeba histolytica protein kinase domain containing protein 0.0414 0.1158 0.1604
Brugia malayi Latrophilin receptor protein 2 0.0134 0.0337 0.0327
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0423 0.1185 0.1192
Loa Loa (eye worm) histone deacetylase 11 0.1505 0.4359 0.4436
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.006 0.0119 0.0105
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0414 0.1158 0.1178

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
IC50 (functional) = 2.74 uM PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deaminase Inhibitors via a fluorescence-based single-stranded DNA deaminase assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493011, AID493024] ChEMBL. No reference
IC50 (functional) = 2.79 uM PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitors via a A3G counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493011, AID493024] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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