Detailed information for compound 34546

Basic information

Technical information
  • TDR Targets ID: 34546
  • Name: N-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquin olin-7-yl)methanesulfonamide
  • MW: 304.386 | Formula: C11H16N2O4S2
  • H donors: 1 H acceptors: 4 LogP: 0.04 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CS(=O)(=O)N(S(=O)(=O)C)c1ccc2c(c1)CNCC2
  • InChi: 1S/C11H16N2O4S2/c1-18(14,15)13(19(2,16)17)11-4-3-9-5-6-12-8-10(9)7-11/h3-4,7,12H,5-6,8H2,1-2H3
  • InChiKey: SGFGDJOGEIILEY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-mesyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Schistosoma mansoni hypothetical protein 0.0171 0.698 1
Brugia malayi acetyltransferase, GNAT family protein 0.0147 0.5953 0.6818
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.1015 0.2223
Loa Loa (eye worm) hypothetical protein 0.003 0.074 0.0799
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.069 0.0927
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.117 0.2686
Echinococcus multilocularis dna polymerase eta 0.0019 0.0268 0.0317
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0231 0.9688 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0167 0.682 0.9768
Echinococcus granulosus nuclear factor of activated T cells 5 0.0074 0.2697 0.3822
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0015 0.0053 0.0008
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0309 0.0376
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0268 0.0738
Brugia malayi bZIP transcription factor family protein 0.0167 0.682 0.7818
Brugia malayi Uncoordinated protein 44 0.0014 0.0048 0.00000010756
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.1331 0.1093
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0268 0.0738
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0309 0.0301
Echinococcus granulosus dna polymerase eta 0.0019 0.0268 0.0317
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.1495 0.1262
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.117 0.2686
Loa Loa (eye worm) beta-lactamase 0.0036 0.1015 0.1116
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0309 0.0301
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.3628 0.3454
Schistosoma mansoni nuclear hormone receptor 0.002 0.0309 0.0376
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0309 0.0376
Loa Loa (eye worm) hypothetical protein 0.0015 0.0053 0.0006
Mycobacterium ulcerans hypothetical protein 0.0036 0.1015 1
Brugia malayi hypothetical protein 0.0131 0.5227 0.598
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.3628 0.3454
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.1331 0.185
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.1015 1
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0014 0.0048 0.00000013438
Loa Loa (eye worm) hypothetical protein 0.002 0.0309 0.0301
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0268 0.0738
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0309 0.0376
Brugia malayi Protein kinase domain containing protein 0.0015 0.0061 0.0016
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0014 0.0048 0.00000013438
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.3628 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.1015 0.0793
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.1331 0.1093
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.1015 0.0768
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.8709 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0147 0.5953 0.8518
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.1015 0.1395
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0268 0.0317
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.3628 0.5164
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.1015 0.0768
Loa Loa (eye worm) hypothetical protein 0.002 0.0309 0.0301
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0309 0.0376
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.074 0.0998
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0127 0.5033 0.7191
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0074 0.2697 0.3822
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.1013 0.1393
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.074 0.0998
Brugia malayi Death domain containing protein 0.0014 0.0048 0.00000010756
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.074 0.0998
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0309 0.0301
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0309 0.0376
Mycobacterium tuberculosis Conserved protein 0.0036 0.1015 0.0793
Onchocerca volvulus 0.0036 0.1015 0.0971
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.1015 0.1116
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.1015 0.0793
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0268 0.0738
Schistosoma mansoni hypothetical protein 0.0036 0.1013 0.1393
Loa Loa (eye worm) hypothetical protein 0.002 0.0309 0.0301
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0309 0.0301
Trichomonas vaginalis set domain proteins, putative 0.0238 0.9995 1
Loa Loa (eye worm) acetyltransferase 0.0147 0.5953 0.6818
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0309 0.0376
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0268 0.0317
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.1015 0.1395
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0268 0.0317
Brugia malayi hypothetical protein 0.0036 0.1013 0.1115
Brugia malayi ecdysteroid receptor 0.002 0.0309 0.0301
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0095 0.3628 0.4133
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.1015 0.1395
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.0309 0.0262
Echinococcus multilocularis geminin 0.0171 0.698 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0268 0.0738
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.3628 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0309 0.0301
Loa Loa (eye worm) hypothetical protein 0.0036 0.1015 0.1116
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0309 0.0376
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.1015 0.0793
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.1015 0.1395
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0268 0.0254
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.074 0.0998
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0268 0.0317
Echinococcus multilocularis thyroid hormone receptor alpha 0.0147 0.5937 0.8495
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.3628 0.3454
Trypanosoma brucei polo-like protein kinase 0.0095 0.3628 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0309 0.0376
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.3628 0.3454
Entamoeba histolytica hypothetical protein 0.0036 0.1013 0.2219
Schistosoma mansoni hypothetical protein 0.0127 0.5033 0.7191
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0268 0.0254
Echinococcus granulosus Ankyrin 0.0015 0.0053 0.0008
Loa Loa (eye worm) hypothetical protein 0.0036 0.1015 0.1116
Schistosoma mansoni DNA polymerase eta 0.0019 0.0268 0.0317
Loa Loa (eye worm) hypothetical protein 0.0036 0.1015 0.1116
Loa Loa (eye worm) hypothetical protein 0.0019 0.0268 0.0254
Loa Loa (eye worm) hypothetical protein 0.0162 0.6616 0.7584
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0268 0.0738
Onchocerca volvulus Bile acid receptor homolog 0.002 0.0309 0.0262
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0309 0.0301
Entamoeba histolytica hypothetical protein 0.0036 0.1013 0.2219
Brugia malayi steroid hormone receptor 0.002 0.0309 0.0301
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0309 0.0376
Giardia lamblia Kinase, PLK 0.0095 0.3628 1
Schistosoma mansoni coup transcription factor 0.002 0.0309 0.0376
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0309 0.0301
Toxoplasma gondii ABC1 family protein 0.0036 0.1015 0.4654
Echinococcus multilocularis Ankyrin 0.0015 0.0053 0.0008
Trypanosoma brucei unspecified product 0.0019 0.0268 0.0738
Leishmania major hypothetical protein, conserved 0.0036 0.1015 0.2223
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0309 0.0301
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.1015 0.0793
Brugia malayi beta-lactamase 0.0036 0.1015 0.1116
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0309 0.0376
Schistosoma mansoni thyroid hormone receptor 0.0147 0.5937 0.8495
Mycobacterium ulcerans beta-lactamase 0.0036 0.1015 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0309 0.0301
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.1015 0.0793
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0309 0.0376
Echinococcus granulosus histone acetyltransferase KAT2B 0.0143 0.5769 0.8253
Brugia malayi Pre-SET motif family protein 0.0209 0.8709 1
Brugia malayi beta-lactamase family protein 0.0036 0.1015 0.1116
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.1015 0.0793
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0309 0.0301
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0095 0.3628 0.5164
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0268 0.0738
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0309 0.0376
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.1015 0.2797
Echinococcus granulosus FTZ F1 alpha 0.002 0.0309 0.0376
Entamoeba histolytica hypothetical protein 0.0036 0.1013 0.2219
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0268 0.0254
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0268 0.0738
Brugia malayi beta-lactamase family protein 0.0036 0.1015 0.1116
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.1331 1
Brugia malayi nuclear hormone receptor 0.002 0.0309 0.0301
Loa Loa (eye worm) hypothetical protein 0.002 0.0309 0.0301
Loa Loa (eye worm) hypothetical protein 0.0036 0.1015 0.1116
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0127 0.5033 0.7191
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0167 0.682 0.9768
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.074 0.0998
Loa Loa (eye worm) hypothetical protein 0.002 0.0309 0.0301
Mycobacterium ulcerans lipase LipD 0.0036 0.1015 1
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.117 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0309 0.0376
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0309 0.0376
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0309 0.0301
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0309 0.0376
Onchocerca volvulus 0.002 0.0309 0.0262
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0309 0.0376
Schistosoma mansoni ankyrin 23/unc44 0.0014 0.0048 0.00000013438
Onchocerca volvulus 0.0036 0.1015 0.0971
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0268 0.0738
Echinococcus granulosus geminin 0.0171 0.698 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0309 0.0376
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0268 0.0738
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0309 0.0301
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0309 0.0376
Mycobacterium tuberculosis Conserved protein 0.0036 0.1015 0.0793
Trichomonas vaginalis esterase, putative 0.0036 0.1015 0.0768
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0309 0.0301
Echinococcus multilocularis jun protein 0.0167 0.682 0.9768
Onchocerca volvulus 0.0131 0.5227 0.5204
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0309 0.0301
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0309 0.0301
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0309 0.0376
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.0309 0.0262
Schistosoma mansoni hypothetical protein 0.0171 0.698 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0309 0.0301
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0309 0.0301
Onchocerca volvulus Serine\/threonine kinase homolog 0.0095 0.3628 0.3597
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0309 0.0301
Echinococcus granulosus jun protein 0.0167 0.682 0.9768
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0309 0.0376
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.1331 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.1015 0.0768
Mycobacterium leprae conserved hypothetical protein 0.0036 0.1015 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0309 0.0301
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0268 0.0738
Entamoeba histolytica serine/threonine protein kinase, putative 0.0095 0.3628 1
Onchocerca volvulus 0.0036 0.1015 0.0971
Brugia malayi Pre-SET motif family protein 0.003 0.074 0.0799
Plasmodium vivax hypothetical protein, conserved 0.0036 0.1015 0.4654
Loa Loa (eye worm) hypothetical protein 0.0036 0.1015 0.1116
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.1015 0.0768
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0147 0.5953 0.8518
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0268 0.0738
Schistosoma mansoni thyroid hormone receptor 0.0147 0.5937 0.8495
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.1015 0.1116
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0309 0.0376
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0309 0.0301
Schistosoma mansoni hypothetical protein 0.0136 0.5431 0.7764
Entamoeba histolytica hypothetical protein 0.0036 0.1013 0.2219
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0309 0.0301
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0309 0.0301
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.1331 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0309 0.0376
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.3628 0.3454
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0309 0.0301
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.074 0.0998
Schistosoma mansoni jun-related protein 0.0136 0.5431 0.7764
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.3628 0.3454
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0309 0.0301
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0268 0.0738
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.1015 0.0768
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.074 0.0998
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.1495 0.1262
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0095 0.3628 0.5164
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0309 0.0376
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.1015 0.0793
Loa Loa (eye worm) hypothetical protein 0.0036 0.1015 0.1116
Echinococcus granulosus dna polymerase kappa 0.0019 0.0268 0.0317
Brugia malayi nuclear receptor NHR-88 0.002 0.0309 0.0301
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0309 0.0376
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.1015 1
Mycobacterium leprae Probable lipase LipE 0.0036 0.1015 0.5
Mycobacterium tuberculosis Conserved protein 0.0036 0.1015 0.0793
Loa Loa (eye worm) hypothetical protein 0.002 0.0309 0.0301
Onchocerca volvulus 0.003 0.074 0.0695
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.1013 0.1393
Schistosoma mansoni kinase 0.0048 0.1551 0.2169
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.1015 0.2223
Brugia malayi serine/threonine-protein kinase plk-2 0.0095 0.3628 0.4133
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0268 0.0738
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0268 0.0317
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.3628 0.3454
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0309 0.0301
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0309 0.0376
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.1013 0.1393
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0095 0.3628 1
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0309 0.0301

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 2.35 Inhibitory activity against bovine adrenal phenylethanolamine N-methyltransferase (PNMT) ChEMBL. 10091706
Ki (binding) = 3.72 Inhibition of [3H]-clonidine binding to the rat alpha2-adrenoceptor ChEMBL. 10091706
Ki (binding) = 190 uM In vitro inhibitory activity against Alpha-2 adrenergic receptor using [3H]-clonidine as radioligand in male Sparague-Dawley rats ChEMBL. 9888838
Ki (binding) = 190 uM Inhibition of [3H]-Clonidine binding to Alpha-2 adrenergic receptor ChEMBL. 9406590
Ki (binding) = 190 uM In vitro inhibitory activity against Alpha-2 adrenergic receptor using [3H]-clonidine as radioligand in male Sparague-Dawley rats ChEMBL. 9888838
Ki (binding) = 190 uM Inhibition of [3H]-Clonidine binding to Alpha-2 adrenergic receptor ChEMBL. 9406590
Ki (binding) ~ 4500 uM In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyltransferase (PNMT) ChEMBL. 9888838
Ki (binding) = 4500 uM Inhibition of Phenylethanolamine N-methyltransferase (PNMT) ChEMBL. 9406590
Ki (binding) ~ 4500 uM In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyltransferase (PNMT) ChEMBL. 9888838
Ki (binding) = 4500 uM Inhibition of Phenylethanolamine N-methyltransferase (PNMT) ChEMBL. 9406590
Log Ki (binding) = 2.35 Inhibitory activity against bovine adrenal phenylethanolamine N-methyltransferase (PNMT) ChEMBL. 10091706
Log Ki (binding) = 3.72 Inhibition of [3H]-clonidine binding to the rat alpha2-adrenoceptor ChEMBL. 10091706
Selectivity (binding) = 0.042 Binding selectivity against PNMT and alpha2-adrenoceptors, measured as a ratio of respective in vitro Ki's. ChEMBL. 9888838
Selectivity ratio (binding) = 0.042 Selectivity was expressed as the ratio is Ki of alpha 2-Adrenoreceptor to tht of PNMT ChEMBL. 9406590

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

3 literature references were collected for this gene.

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