Detailed information for compound 88360

Basic information

Technical information
  • TDR Targets ID: 88360
  • Name: (7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl)m ethanol
  • MW: 208.214 | Formula: C10H12N2O3
  • H donors: 2 H acceptors: 3 LogP: 0.54 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1NCc2c(C1)ccc(c2)[N+](=O)[O-]
  • InChi: 1S/C10H12N2O3/c13-6-9-3-7-1-2-10(12(14)15)4-8(7)5-11-9/h1-2,4,9,11,13H,3,5-6H2
  • InChiKey: RNUCRXHRBPLYTA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phenylethanolamine N-methyltransferase Starlite/ChEMBL References
Rattus norvegicus Adrenergic receptor alpha-2 Starlite/ChEMBL References
Homo sapiens adrenoceptor alpha 2A Starlite/ChEMBL References
Bos taurus Phenylethanolamine N-methyltransferase Starlite/ChEMBL 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
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis alpha 1A adrenergic receptor Adrenergic receptor alpha-2   450 aa 478 aa 20.7 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Adrenergic receptor alpha-2   450 aa 473 aa 24.1 %
Onchocerca volvulus Adrenergic receptor alpha-2   450 aa 420 aa 19.8 %
Brugia malayi NNMT/PNMT/TEMT family protein phenylethanolamine N-methyltransferase 282 aa 257 aa 26.5 %
Brugia malayi NNMT/PNMT/TEMT family protein Phenylethanolamine N-methyltransferase   283 aa 254 aa 26.0 %
Echinococcus granulosus biogenic amine 5HT receptor Adrenergic receptor alpha-2   450 aa 423 aa 31.7 %
Echinococcus multilocularis serotonin receptor Adrenergic receptor alpha-2   450 aa 426 aa 31.9 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Adrenergic receptor alpha-2   450 aa 378 aa 20.9 %
Schistosoma mansoni amine GPCR Adrenergic receptor alpha-2   450 aa 439 aa 29.2 %
Loa Loa (eye worm) TYRA-2 protein Adrenergic receptor alpha-2   450 aa 488 aa 23.8 %
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein Phenylethanolamine N-methyltransferase   283 aa 245 aa 26.5 %
Echinococcus multilocularis fmrfamide receptor Adrenergic receptor alpha-2   450 aa 366 aa 19.9 %
Echinococcus multilocularis neuropeptides capa receptor Adrenergic receptor alpha-2   450 aa 486 aa 20.6 %
Schistosoma mansoni biogenic amine (5HT) receptor Adrenergic receptor alpha-2   450 aa 433 aa 27.9 %
Onchocerca volvulus Putative Werner syndrome ATP-dependent helicase homolog 1 Phenylethanolamine N-methyltransferase   283 aa 254 aa 27.2 %
Echinococcus granulosus alpha 1A adrenergic receptor Adrenergic receptor alpha-2   450 aa 476 aa 21.0 %
Onchocerca volvulus Adrenergic receptor alpha-2   450 aa 467 aa 25.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0188 0.1896 0.2338
Loa Loa (eye worm) hypothetical protein 0.0031 0.0177 0.0198
Schistosoma mansoni aldehyde dehydrogenase 0.0181 0.1821 0.1821
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0031 0.0178 0.0199
Leishmania major hypothetical protein, conserved 0.0018 0.0034 0.0188
Schistosoma mansoni hypothetical protein 0.0928 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0031 0.0178 0.0177
Brugia malayi hypothetical protein 0.027 0.2795 0.3471
Echinococcus multilocularis muscleblind protein 0.0304 0.3168 0.3168
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0046 0.0345 0.1892
Echinococcus multilocularis thyroid hormone receptor alpha 0.0031 0.0178 0.0177
Schistosoma mansoni coup transcription factor 0.0031 0.0178 0.0177
Plasmodium vivax thioredoxin reductase, putative 0.0043 0.0305 0.2863
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0108 0.1022 0.127
Mycobacterium leprae conserved hypothetical protein 0.0112 0.1066 0.2258
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.1594 0.1594
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.016 0.1594 0.1963
Plasmodium vivax hypothetical protein, conserved 0.0112 0.1066 1
Echinococcus multilocularis excitatory amino acid transporter 2 0.075 0.805 0.805
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0031 0.0178 0.0177
Brugia malayi F/Y-rich N-terminus family protein 0.0022 0.0084 0.0104
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0084 0.0757 0.0757
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0018 0.0017
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0188 0.1896 0.1896
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0051 0.0396 0.069
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0163 0.1623 0.8913
Mycobacterium ulcerans lipase LipD 0.0112 0.1066 0.5853
Treponema pallidum glutamate transporter 0.0333 0.3478 0.996
Echinococcus multilocularis lysine specific demethylase 6a 0.0018 0.0034 0.0034
Brugia malayi hypothetical protein 0.0016 0.0018 0.0022
Schistosoma mansoni ap endonuclease 0.0018 0.004 0.004
Trichomonas vaginalis importin beta-1, putative 0.0051 0.0396 0.069
Echinococcus multilocularis Excitatory amino acid transporter 0.075 0.805 0.805
Onchocerca volvulus 0.0112 0.1066 0.1128
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0018 0.0034 0.0322
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0178 0.022
Schistosoma mansoni retinoic acid receptor RXR 0.0031 0.0178 0.0177
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.004 0.005
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0228 0.0228
Trypanosoma brucei importin beta-1 subunit, putative 0.0063 0.0526 0.4937
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0031 0.0178 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0031 0.0178 0.022
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0178 0.022
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0019 0.0043 0.0043
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0031 0.0178 0.022
Plasmodium falciparum JmjC domain-containing protein, putative 0.0018 0.0034 0.0652
Brugia malayi jmjC domain containing protein 0.0018 0.0034 0.0043
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0228 0.0228
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0667 0.7136 0.8862
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0177 0.0177
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.004 0.0114
Leishmania major importin beta-1 subunit, putative 0.0051 0.0396 0.2175
Onchocerca volvulus 0.0069 0.0596 0.0531
Schistosoma mansoni thyroid hormone receptor 0.0031 0.0178 0.0177
Loa Loa (eye worm) thioredoxin reductase 0.0043 0.0305 0.0358
Echinococcus multilocularis microtubule associated protein 2 0.0676 0.724 0.724
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0031 0.0178 0.0177
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0112 0.1066 0.1324
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0614 0.0743
Echinococcus multilocularis Excitatory amino acid transporter 0.075 0.805 0.805
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.004 0.0219
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0188 0.1896 0.1896
Echinococcus granulosus phd:f box containing protein 0.0018 0.0034 0.0034
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0112 0.1066 0.1324
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0016 0.0018 0.0017
Loa Loa (eye worm) hypothetical protein 0.027 0.2795 0.3457
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.075 0.805 1
Schistosoma mansoni microtubule-associated protein tau 0.0676 0.724 0.724
Loa Loa (eye worm) hypothetical protein 0.0031 0.0178 0.0199
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0334 0.3492 0.6085
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0065 0.0553 0.0553
Echinococcus granulosus neutral amino acid transporter A 0.075 0.805 0.805
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0334 0.3492 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0031 0.0178 0.0177
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0334 0.3492 0.6085
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0153 0.1439
Schistosoma mansoni hypothetical protein 0.0031 0.0177 0.0177
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0178 0.0177
Onchocerca volvulus 0.0093 0.0854 0.0859
Brugia malayi follicle stimulating hormone receptor 0.0239 0.2458 0.3054
Loa Loa (eye worm) hypothetical protein 0.0067 0.0569 0.0687
Toxoplasma gondii thioredoxin reductase 0.0043 0.0305 0.1675
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0112 0.1066 0.1305
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0046 0.0345 0.0345
Schistosoma mansoni aldehyde dehydrogenase 0.0181 0.1821 0.1821
Echinococcus granulosus excitatory amino acid transporter 2 0.075 0.805 0.805
Echinococcus granulosus sodium:dicarboxylate symporter 0.075 0.805 0.805
Brugia malayi jmjC domain containing protein 0.0018 0.0034 0.0043
Echinococcus granulosus excitatory amino acid transporter 2 0.075 0.805 0.805
Onchocerca volvulus 0.0065 0.0552 0.0475
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0228 0.1251
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0031 0.0178 0.0199
Echinococcus granulosus excitatory amino acid transporter 3 0.075 0.805 0.805
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0108 0.1022 0.127
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0614 0.0614
Loa Loa (eye worm) hypothetical protein 0.0018 0.0034 0.0021
Echinococcus granulosus geminin 0.0166 0.1656 0.1656
Echinococcus multilocularis muscleblind protein 1 0.0304 0.3168 0.3168
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0031 0.0178 0.0177
Treponema pallidum fructose-bisphosphate aldolase 0.0334 0.3492 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.1125 0.1379
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0084 0.0757 0.0757
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0333 0.3478 0.3478
Onchocerca volvulus 0.0112 0.1066 0.1128
Echinococcus granulosus neuropeptide receptor A26 0.0538 0.5731 0.5731
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0614 0.0614
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0031 0.0178 0.022
Echinococcus multilocularis sodium:dicarboxylate symporter 0.075 0.805 0.805
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.004 0.007
Echinococcus multilocularis beta LACTamase domain containing family member 0.0112 0.1066 0.1066
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0084 0.0757 0.1319
Loa Loa (eye worm) CXXC zinc finger family protein 0.0065 0.0552 0.0665
Entamoeba histolytica Ran family GTPase 0.0046 0.0345 0.0882
Echinococcus multilocularis ubiquitin specific protease 41 0.0084 0.0757 0.0757
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0084 0.0757 0.4157
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0228 0.0262
Echinococcus multilocularis neuropeptide s receptor 0.0538 0.5731 0.5731
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0717 0.7681 0.9542
Schistosoma mansoni survival motor neuron protein 0.0055 0.0441 0.0441
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0031 0.0178 0.0199
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0031 0.0178 0.0177
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0188 0.1896 0.1896
Loa Loa (eye worm) hypothetical protein 0.0018 0.0034 0.0021
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0018 0.0022
Echinococcus granulosus Excitatory amino acid transporter 0.075 0.805 0.805
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0177 0.0177
Trichomonas vaginalis ran, putative 0.0046 0.0345 0.0601
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0051 0.0396 0.069
Brugia malayi nuclear receptor NHR-88 0.0031 0.0178 0.022
Toxoplasma gondii histone lysine methyltransferase SET1 0.0126 0.1217 0.6684
Plasmodium vivax JmjC domain containing protein 0.0018 0.0034 0.0322
Schistosoma mansoni protein phosphatase 2C 0.0018 0.0034 0.0034
Schistosoma mansoni hypothetical protein 0.0067 0.0569 0.0569
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0097 0.0903 0.1122
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0031 0.0178 0.0177
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0333 0.3478 0.3478
Schistosoma mansoni steroid hormone receptor ad4bp 0.0031 0.0178 0.0177
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0569 0.0707
Loa Loa (eye worm) hypothetical protein 0.0031 0.0178 0.0199
Mycobacterium ulcerans esterase/lipase LipP 0.0112 0.1066 0.5853
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0097 0.0903 0.1122
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0084 0.0757 0.7102
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0334 0.3492 0.6085
Toxoplasma gondii ABC1 family protein 0.0112 0.1066 0.5853
Brugia malayi photoreceptor-specific nuclear receptor 0.0031 0.0178 0.022
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.004 0.007
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0067 0.0574 0.0573
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0671 0.7182 0.892
Echinococcus granulosus GPCR family 2 0.0031 0.0177 0.0177
Brugia malayi jmjC domain containing protein 0.0067 0.0574 0.0712
Echinococcus multilocularis lysine specific demethylase 5A 0.0067 0.0574 0.0573
Loa Loa (eye worm) hypothetical protein 0.0031 0.0178 0.0199
Schistosoma mansoni importin beta-1 0.0063 0.0526 0.0526
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0019 0.0043 0.0043
Echinococcus multilocularis FTZ F1 alpha 0.0031 0.0178 0.0177
Schistosoma mansoni hypothetical protein 0.0031 0.0177 0.0177
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.0614 0.0614
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0043 0.0305 0.0379
Onchocerca volvulus Excitatory amino acid transporter homolog 0.075 0.805 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0188 0.1896 0.1896
Echinococcus granulosus Excitatory amino acid transporter 0.075 0.805 0.805
Echinococcus multilocularis thioredoxin glutathione reductase 0.0043 0.0311 0.0311
Mycobacterium tuberculosis Conserved protein 0.0112 0.1066 0.1324
Mycobacterium tuberculosis Probable dehydrogenase 0.0097 0.0903 0.1122
Echinococcus granulosus FTZ F1 alpha 0.0031 0.0178 0.0177
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0153 0.1439
Loa Loa (eye worm) hypothetical protein 0.0667 0.7136 0.8862
Chlamydia trachomatis neutral amino acid transporter 0.0333 0.3478 0.432
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.1125 0.1379
Trypanosoma cruzi hypothetical protein, conserved 0.0112 0.1066 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0178 0.022
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0177 0.0177
Trypanosoma cruzi trypanothione reductase, putative 0.0043 0.0305 0.2863
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0069 0.0596 0.0595
Loa Loa (eye worm) excitatory amino acid transporter 0.075 0.805 1
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.075 0.805 0.805
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0334 0.3492 0.6085
Loa Loa (eye worm) hypothetical protein 0.0304 0.3168 0.3923
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0188 0.1896 0.1896
Leishmania major trypanothione reductase 0.0043 0.0305 0.1675
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0112 0.1066 0.1066
Echinococcus multilocularis neutral amino acid transporter A 0.075 0.805 0.805
Toxoplasma gondii HEAT repeat-containing protein 0.0063 0.0526 0.2889
Schistosoma mansoni alpha-glucosidase 0.0138 0.135 0.1349
Brugia malayi hypothetical protein 0.0029 0.0153 0.019
Echinococcus multilocularis neutral amino acid transporter A 0.075 0.805 0.805
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0084 0.0757 0.2077
Schistosoma mansoni hypothetical protein 0.0031 0.0177 0.0177
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0108 0.1022 0.1651
Loa Loa (eye worm) hypothetical protein 0.0069 0.0596 0.072
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0084 0.0757 0.7102
Echinococcus granulosus ecdysone induced protein 78C 0.0031 0.0178 0.0177
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0228 0.1251
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0163 0.1623 1
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0018 0.0034 0.0188
Echinococcus granulosus lysosomal alpha glucosidase 0.016 0.1594 0.1594
Brugia malayi beta-lactamase family protein 0.0112 0.1066 0.1324
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0022 0.0075 0.0075
Schistosoma mansoni phosphatidylserine receptor 0.0018 0.0034 0.0034
Brugia malayi MH2 domain containing protein 0.0118 0.1125 0.1397
Mycobacterium ulcerans aldehyde dehydrogenase 0.0181 0.1821 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.016 0.1594 0.198
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0069 0.0596 0.0595
Brugia malayi nuclear receptor RXR 0.0016 0.0018 0.0022
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0031 0.0178 0.0177
Echinococcus granulosus jumonji domain containing 1A 0.0018 0.0034 0.0034
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0031 0.0178 0.0177
Brugia malayi steroid hormone receptor 0.0031 0.0178 0.022
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0181 0.1821 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0178 0.0199
Echinococcus granulosus histone lysine methyltransferase setb 0.0069 0.0596 0.0595
Schistosoma mansoni alpha glucosidase 0.0036 0.0228 0.0228
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0084 0.0757 0.0757
Loa Loa (eye worm) hypothetical protein 0.0031 0.0178 0.0199
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0069 0.0596 0.327
Plasmodium vivax importin-beta 2, putative 0.0063 0.0526 0.4937
Mycobacterium tuberculosis Conserved protein 0.0112 0.1066 0.1324
Mycobacterium tuberculosis Conserved protein 0.0112 0.1066 0.1324
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.075 0.805 0.805
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0178 0.022
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0046 0.0345 0.0987
Plasmodium vivax SET domain protein, putative 0.0069 0.0596 0.5587
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0018 0.0022
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0178 0.022
Loa Loa (eye worm) steroid hormone receptor 0.0031 0.0178 0.0199
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0333 0.3478 0.3478
Schistosoma mansoni ap endonuclease 0.0018 0.004 0.004
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0031 0.0178 0.0177
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.004 0.005
Echinococcus multilocularis phd:f box containing protein 0.0018 0.0034 0.0034
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0018 0.0017
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.1594 0.1594
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0069 0.0596 0.0595
Brugia malayi Excitatory amino acid transporter 0.075 0.805 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0228 0.0283
Brugia malayi jmjC domain containing protein 0.0071 0.0614 0.0763
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.004 0.004
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0046 0.0345 0.0407
Echinococcus multilocularis GPCR, family 2 0.0031 0.0177 0.0177
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0228 0.0544
Echinococcus granulosus neutral amino acid transporter A 0.075 0.805 0.805
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0181 0.1821 0.2262
Leishmania major hypothetical protein, conserved 0.0029 0.0153 0.0842
Brugia malayi Muscleblind-like protein 0.0304 0.3168 0.3936
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0023 0.0086 0.0086
Echinococcus granulosus neutral amino acid transporter 0.075 0.805 0.805
Loa Loa (eye worm) hypothetical protein 0.0031 0.0178 0.0199
Loa Loa (eye worm) hypothetical protein 0.0304 0.3168 0.3923
Echinococcus multilocularis cpg binding protein 0.0069 0.0593 0.0592
Trichomonas vaginalis D-aminoacylase, putative 0.0112 0.1066 0.1857
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0097 0.0903 0.1122
Loa Loa (eye worm) hypothetical protein 0.0667 0.7136 0.8862
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.004 0.0219
Onchocerca volvulus 0.0539 0.5739 0.7064
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0153 0.2914
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0084 0.0757 0.0757
Brugia malayi beta-lactamase family protein 0.0112 0.1066 0.1324
Loa Loa (eye worm) hypothetical protein 0.0112 0.1066 0.1305
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0228 0.0397
Echinococcus multilocularis geminin 0.0166 0.1656 0.1656
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0031 0.0178 0.0177
Mycobacterium tuberculosis Probable reductase 0.0097 0.0903 0.1122
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0031 0.0178 0.0177
Treponema pallidum glutamate/aspartate transporter 0.0333 0.3478 0.996
Mycobacterium leprae Probable lipase LipE 0.0112 0.1066 0.2258
Schistosoma mansoni phd/f-box containing protein 0.0018 0.0034 0.0034
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.004 0.0375
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.004 0.0114
Schistosoma mansoni jumonji domain containing protein 0.0067 0.0574 0.0573
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0031 0.0178 0.0177
Echinococcus multilocularis excitatory amino acid transporter 3 0.075 0.805 0.805
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0178 0.022
Brugia malayi jmjC domain containing protein 0.0018 0.0034 0.0043
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0046 0.0345 0.3232
Schistosoma mansoni hypothetical protein 0.0031 0.0177 0.0177
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0067 0.0574 0.0573
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0334 0.3492 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0163 0.1623 0.2016
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0926 0.9976 0.9976
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0112 0.1066 0.5853
Schistosoma mansoni thyroid hormone receptor 0.0031 0.0178 0.0177
Echinococcus granulosus beta LACTamase domain containing family member 0.0112 0.1066 0.1066
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0177 0.0219
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0018 0.0034 0.0034
Schistosoma mansoni hypothetical protein 0.0166 0.1656 0.1656
Echinococcus multilocularis neuropeptide receptor A26 0.0538 0.5731 0.5731
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0046 0.0345 0.3232
Brugia malayi hypothetical protein 0.0016 0.0018 0.0022
Echinococcus granulosus snurportin 1 0.0671 0.7182 0.7182
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0046 0.0345 0.6548
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0046 0.0345 0.0428
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0228 0.0397
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.004 0.0375
Brugia malayi Thioredoxin reductase 0.0043 0.0305 0.0379
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0112 0.1066 0.1066
Mycobacterium tuberculosis Probable oxidoreductase 0.0108 0.1022 0.127
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0016 0.0018 0.0017
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.0908 0.1127
Brugia malayi Pre-SET motif family protein 0.0069 0.0596 0.074
Loa Loa (eye worm) jmjC domain-containing protein 0.0018 0.0034 0.0021
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0084 0.0757 0.2168
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0178 0.0177
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0084 0.0757 0.0757
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0141 0.1379 0.1379
Chlamydia trachomatis glutamate symporter 0.075 0.805 1
Trypanosoma brucei trypanothione reductase 0.0043 0.0305 0.2863
Brugia malayi glutathione reductase 0.0043 0.0305 0.0379
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0031 0.0178 0.022
Mycobacterium ulcerans hypothetical protein 0.0112 0.1066 0.5853
Trypanosoma brucei hypothetical protein, conserved 0.0112 0.1066 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0228 0.0397
Trichomonas vaginalis D-aminoacylase, putative 0.0112 0.1066 0.1857
Brugia malayi beta-lactamase 0.0112 0.1066 0.1324
Mycobacterium tuberculosis Probable esterase LipL 0.0112 0.1066 0.1324
Mycobacterium ulcerans beta-lactamase 0.0112 0.1066 0.5853
Schistosoma mansoni cpg binding protein 0.0069 0.0593 0.0592
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0228 0.0397
Trypanosoma brucei importin beta-1 subunit, putative 0.0063 0.0526 0.4937
Echinococcus granulosus importin subunit beta 1 0.0063 0.0526 0.0526
Trypanosoma brucei glucosidase, putative 0.0036 0.0228 0.2138
Echinococcus granulosus lysine specific demethylase 6a 0.0018 0.0034 0.0034
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0153 0.1439
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0178 0.0177
Echinococcus multilocularis dnaJ subfamily B 0.0928 1 1
Echinococcus granulosus muscleblind protein 0.0304 0.3168 0.3168
Schistosoma mansoni ran 0.0046 0.0345 0.0345
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.004 0.0375
Brugia malayi hypothetical protein 0.0019 0.0042 0.0052
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0188 0.1896 0.2355
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.004 0.0759
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0228 0.0397
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0097 0.0903 0.1122
Toxoplasma gondii exonuclease III APE 0.0018 0.004 0.0219
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.004 0.005
Entamoeba histolytica hypothetical protein 0.0051 0.0396 0.1032
Echinococcus multilocularis snurportin 1 0.0671 0.7182 0.7182
Brugia malayi Pre-SET motif family protein 0.0474 0.5024 0.6241
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0069 0.0596 0.0595
Plasmodium falciparum thioredoxin reductase 0.0043 0.0305 0.5799
Loa Loa (eye worm) histone methyltransferase 0.0023 0.0086 0.0086
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0112 0.1066 0.1324
Mycobacterium ulcerans aldehyde dehydrogenase 0.0181 0.1821 1
Brugia malayi nuclear hormone receptor 0.0031 0.0178 0.022
Plasmodium falciparum importin beta, putative 0.0063 0.0526 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0239 0.2458 0.3039
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.004 0.0375
Echinococcus multilocularis JmjC domain containing protein 4 0.0018 0.0034 0.0034
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0022 0.0075 0.0075
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0178 0.0177
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0228 0.0397
Echinococcus granulosus GTP binding nuclear protein Ran 0.0046 0.0345 0.0345
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0018 0.0034 0.0188
Loa Loa (eye worm) hypothetical protein 0.0031 0.0178 0.0199
Schistosoma mansoni alpha-glucosidase 0.0138 0.135 0.1349
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0334 0.3492 0.6085
Loa Loa (eye worm) hypothetical protein 0.0031 0.0178 0.0199
Schistosoma mansoni cpg binding protein 0.0069 0.0593 0.0592
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0334 0.3492 0.6085
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0177 0.0177
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0018 0.0034 0.0322
Mycobacterium tuberculosis Probable lipase LipE 0.0112 0.1066 0.1324
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0153 0.2914
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.0441 0.0548
Echinococcus granulosus thioredoxin glutathione reductase 0.0043 0.0311 0.0311
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.075 0.805 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0031 0.0178 0.0199
Loa Loa (eye worm) hypothetical protein 0.0112 0.1066 0.1305
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0333 0.3478 0.3478
Mycobacterium tuberculosis Probable lipase LipD 0.0112 0.1066 0.1324
Echinococcus multilocularis neutral amino acid transporter A 0.075 0.805 0.805
Echinococcus granulosus ubiquitin specific protease 41 0.0084 0.0757 0.0757
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.0178 0.0177
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0019 0.0043 0.0043
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0019 0.0043 0.0043
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.0908 0.1127
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0112 0.1066 0.1324
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0031 0.0178 0.0199
Loa Loa (eye worm) beta-lactamase 0.0112 0.1066 0.1305
Echinococcus granulosus neuropeptide s receptor 0.0538 0.5731 0.5731
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0031 0.0178 0.0199
Trichomonas vaginalis penicillin-binding protein, putative 0.0112 0.1066 0.1857
Brugia malayi ecdysteroid receptor 0.0031 0.0178 0.022
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0228 0.0397
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0018 0.0034 0.0322
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0178 0.0177
Echinococcus granulosus cpg binding protein 0.0069 0.0593 0.0592
Schistosoma mansoni RAR-like nuclear receptor 0.0031 0.0178 0.0177
Loa Loa (eye worm) hypothetical protein 0.0063 0.0526 0.0633
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0046 0.0345 0.3232
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0084 0.0757 0.1319
Brugia malayi NNMT/PNMT/TEMT family protein 0.0667 0.7136 0.8864
Echinococcus granulosus survival motor neuron protein 1 0.027 0.2795 0.2794
Loa Loa (eye worm) jmjC domain-containing protein 0.0018 0.0034 0.0021
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.0908 0.1108
Loa Loa (eye worm) hypothetical protein 0.0112 0.1066 0.1305
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0023 0.0086 0.0086
Plasmodium vivax glutathione reductase, putative 0.0043 0.0305 0.2863
Brugia malayi Steroid receptor seven-up type 2 0.0031 0.0178 0.022
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0031 0.0178 0.0177
Mycobacterium tuberculosis Probable hydrolase 0.0112 0.1066 0.1324
Plasmodium falciparum glutathione reductase 0.0043 0.0305 0.5799
Trypanosoma cruzi importin beta-1 subunit, putative 0.0051 0.0396 0.3716
Onchocerca volvulus 0.0112 0.1066 0.1128
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0069 0.0596 0.0595
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0084 0.0757 0.7102
Loa Loa (eye worm) hypothetical protein 0.0018 0.0034 0.0021
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0031 0.0178 0.0199
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0757 0.1319
Schistosoma mansoni hypothetical protein 0.0166 0.1656 0.1656
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0181 0.1821 0.1821
Brugia malayi Importin beta-1 subunit 0.0063 0.0526 0.0654
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0228 0.0397
Echinococcus multilocularis importin subunit beta 1 0.0063 0.0526 0.0526
Loa Loa (eye worm) hypothetical protein 0.0112 0.1066 0.1305
Schistosoma mansoni jumonji domain containing protein 0.0018 0.0034 0.0034
Echinococcus multilocularis jumonji domain containing 1A 0.0018 0.0034 0.0034
Trichomonas vaginalis penicillin-binding protein, putative 0.0112 0.1066 0.1857
Loa Loa (eye worm) hypothetical protein 0.0029 0.0153 0.0169
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.004 0.0028
Echinococcus granulosus JmjC domain containing protein 4 0.0018 0.0034 0.0034
Schistosoma mansoni ran 0.0046 0.0345 0.0345
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0228 0.2138
Schistosoma mansoni hypothetical protein 0.0055 0.0441 0.0441
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0334 0.3492 0.6085
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0084 0.0757 0.0757
Brugia malayi jmjC domain containing protein 0.0018 0.0034 0.0043
Brugia malayi RNA, U transporter 1 0.0179 0.1795 0.2229
Trichomonas vaginalis D-aminoacylase, putative 0.0112 0.1066 0.1857
Loa Loa (eye worm) hypothetical protein 0.0084 0.0757 0.0921
Trichomonas vaginalis esterase, putative 0.0112 0.1066 0.1857
Echinococcus granulosus mixed lineage leukemia protein mll 0.0019 0.0043 0.0043
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0177 0.0219
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0188 0.1896 0.1896
Loa Loa (eye worm) hypothetical protein 0.0112 0.1066 0.1305
Echinococcus granulosus microtubule associated protein 2 0.0676 0.724 0.724
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0228 0.0397
Schistosoma mansoni cpg binding protein 0.0065 0.0552 0.0552
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0334 0.3492 0.6085
Leishmania major GTP-binding protein, putative 0.0046 0.0345 0.1892
Leishmania major hypothetical protein, conserved 0.0112 0.1066 0.5853
Loa Loa (eye worm) glutathione reductase 0.0043 0.0305 0.0358
Giardia lamblia Fructose-bisphosphate aldolase 0.0334 0.3492 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0228 0.2138
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0474 0.5024 0.6233
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0153 0.1439
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0031 0.0178 0.022
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0178 0.022
Loa Loa (eye worm) jmjC domain-containing protein 0.0018 0.0034 0.0021
Trichomonas vaginalis set domain proteins, putative 0.0539 0.5739 1
Echinococcus multilocularis survival motor neuron protein 1 0.027 0.2795 0.2794
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0069 0.0596 0.0595
Brugia malayi CXXC zinc finger family protein 0.0065 0.0552 0.0685
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0031 0.0178 0.022
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0031 0.0178 0.022
Echinococcus multilocularis excitatory amino acid transporter 2 0.075 0.805 0.805
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0046 0.0345 0.3232
Schistosoma mansoni hypothetical protein 0.0671 0.7182 0.7182
Onchocerca volvulus 0.0055 0.0441 0.0335
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0228 0.0544
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0188 0.1896 0.1896
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0084 0.0757 0.094
Loa Loa (eye worm) hypothetical protein 0.0098 0.0908 0.1108
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0181 0.1821 0.1821
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0153 0.0842
Trypanosoma cruzi hypothetical protein, conserved 0.0112 0.1066 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.1066 0.1305
Mycobacterium ulcerans aldehyde dehydrogenase 0.0181 0.1821 1
Toxoplasma gondii aldehyde dehydrogenase 0.0181 0.1821 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.004 0.004
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0177 0.0198

Activities

Activity type Activity value Assay description Source Reference
clogP = 0.57 Calculated partition coefficient (clogP) ChEMBL. 10479290
Ki (binding) = 4.12 Binding affinity against alpha 2 adrenergic receptor in rat cortex using [3H]-clonidine as radioliagnd ChEMBL. 15686930
Ki (binding) = 17 nM Inhibition of wild type human PNMT ChEMBL. 17845018
Ki (binding) = 17 nM Inhibition of wild type human PNMT ChEMBL. 17845018
Ki (binding) = 145 nM Inhibition of human PNMT K57A mutant ChEMBL. 17845018
Ki (binding) = 0.047 uM Binding affinity against Human phenylethanolamine N-methyltransferase ChEMBL. 15686930
Ki (binding) = 0.047 uM Binding affinity against Human phenylethanolamine N-methyltransferase ChEMBL. 15686930
Ki (binding) = 0.29 uM Inhibition of bovine adrenal Phenylethanolamine N-Methyltransferase ChEMBL. 10354406
Ki (binding) = 0.29 uM Ability to inhibit phenylethanolamine N-methyltransferase (PNMT) ChEMBL. 11495596
Ki (binding) = 0.29 uM Inhibition of bovine adrenal Phenylethanolamine N-Methyltransferase ChEMBL. 10354406
Ki (binding) = 0.29 uM Ability to inhibit phenylethanolamine N-methyltransferase (PNMT) ChEMBL. 11495596
Ki (binding) = 3.9 uM Binding affinity against human alpha 2A adrenergic receptor in CHO cells using [3H]-RX-821002 as radioligand ChEMBL. 15686930
Ki (binding) = 3.9 uM Binding affinity against human alpha 2A adrenergic receptor in CHO cells using [3H]-RX-821002 as radioligand ChEMBL. 15686930
Ki (binding) = 19 uM Displacement of [3H]-Clonidine from Alpha-2 adrenergic receptor of rat cortical membranes ChEMBL. 10354406
Ki (binding) = 19 uM Binding affinity to alpha-2 adrenergic receptor by displacement of [3H]-Clonidine ChEMBL. 11495596
Ki (binding) = 19 uM Binding affinity against alpha 2 adrenergic receptor in rat cortex using [3H]-clonidine as radioliagnd ChEMBL. 15686930
Ki (binding) = 19 uM Displacement of [3H]-Clonidine from Alpha-2 adrenergic receptor of rat cortical membranes ChEMBL. 10354406
Ki (binding) = 19 uM Binding affinity to alpha-2 adrenergic receptor by displacement of [3H]-Clonidine ChEMBL. 11495596
Ki (binding) = 19 uM Binding affinity against alpha 2 adrenergic receptor in rat cortex using [3H]-clonidine as radioliagnd ChEMBL. 15686930
Log Ki (binding) = 4.12 Binding affinity against alpha 2 adrenergic receptor in rat cortex using [3H]-clonidine as radioliagnd ChEMBL. 15686930
Papp (functional) = 125000 cm min-1 Apparent permeability value of the compound through blood-brain barrier was evaluated using bovine brain microvessel endothelial cells (BBMEC) ChEMBL. 10479290
Ratio Ki (binding) = 0.12 Ratio of Ki for wild type human PNMT to Ki for human PNMT K57 mutant ChEMBL. 17845018
Selectivity (binding) = 66 Relative affinity for PNMT and alpha2 adrenergic receptors ChEMBL. 10354406
Selectivity (binding) = 66 Selectivity ratio (alpha2/PNMT) ChEMBL. 11495596
Selectivity (binding) = 400 Selectivity for inhibition of alpha 2 adrenergic receptor to that of phenylethanolamine N-methyltransferase ChEMBL. 15686930

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

5 literature references were collected for this gene.

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