Detailed information for compound 58745

Basic information

Technical information
  • TDR Targets ID: 58745
  • Name: 3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexah ydrobenzo[e]isoindol-2-yl]ethyl]-6-chloro-1H- [1]benzothiolo[3,2-d]pyrimidine-2,4-dione
  • MW: 481.994 | Formula: C25H24ClN3O3S
  • H donors: 1 H acceptors: 2 LogP: 4.79 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc2c1CC[C@@H]1[C@H]2CN(C1)CCn1c(=O)[nH]c2c(c1=O)sc1c2cccc1Cl
  • InChi: 1S/C25H24ClN3O3S/c1-32-20-7-3-4-15-16(20)9-8-14-12-28(13-18(14)15)10-11-29-24(30)23-21(27-25(29)31)17-5-2-6-19(26)22(17)33-23/h2-7,14,18H,8-13H2,1H3,(H,27,31)/t14-,18+/m0/s1
  • InChiKey: XOXWMHZYJHDHHV-KBXCAEBGSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-6-chloro-1H-benzothiopheno[3,2-d]pyrimidine-2,4-dione
  • 3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-6-chloro-1H-benzothiopheno[3,2-d]pyrimidine-2,4-quinone
  • 3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[g]isoindol-2-yl]ethyl]-6-chloro-1H-[1]benzothiolo[2,3-e]pyrimidine-2,4-dione
  • 3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[g]isoindol-2-yl]ethyl]-6-chloro-1H-benzothiopheno[2,3-e]pyrimidine-2,4-dione
  • 3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[g]isoindol-2-yl]ethyl]-6-chloro-1H-benzothiopheno[2,3-e]pyrimidine-2,4-quinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Alpha-1d adrenergic receptor Starlite/ChEMBL References
Rattus norvegicus Alpha-1a adrenergic receptor Starlite/ChEMBL References
Mesocricetus auratus Alpha-1b adrenergic receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni amine GPCR Get druggable targets OG5_128924 All targets in OG5_128924
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Get druggable targets OG5_128924 All targets in OG5_128924
Schistosoma japonicum Alpha-1D adrenergic receptor, putative Get druggable targets OG5_128924 All targets in OG5_128924
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis neuropeptide Y receptor Alpha-1a adrenergic receptor   466 aa 419 aa 19.6 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Alpha-1a adrenergic receptor   466 aa 443 aa 31.2 %
Echinococcus granulosus rhodopsin orphan GPCR Alpha-1a adrenergic receptor   466 aa 418 aa 20.3 %
Echinococcus granulosus biogenic amine 5HT receptor Alpha-1a adrenergic receptor   466 aa 418 aa 30.4 %
Schistosoma japonicum FMRFamide receptor, putative Alpha-1a adrenergic receptor   466 aa 374 aa 19.5 %
Echinococcus granulosus g protein coupled receptor Alpha-1a adrenergic receptor   466 aa 399 aa 20.8 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Alpha-1a adrenergic receptor   466 aa 386 aa 31.6 %
Echinococcus multilocularis g protein coupled receptor Alpha-1a adrenergic receptor   466 aa 398 aa 21.4 %
Echinococcus granulosus g protein coupled receptor Alpha-1a adrenergic receptor   466 aa 414 aa 20.5 %
Echinococcus multilocularis g protein coupled receptor Alpha-1a adrenergic receptor   466 aa 414 aa 20.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni neuropeptide F-like receptor 0.005 0.0229 0.0119
Trypanosoma cruzi Protein kinase B 0.0046 0.0111 0.1805
Onchocerca volvulus 0.0107 0.1607 0.3132
Echinococcus granulosus ectonucleotide 0.009 0.1197 0.7448
Loa Loa (eye worm) hypothetical protein 0.0107 0.1607 0.3132
Echinococcus granulosus tachykinin peptides receptor 99D 0.005 0.0229 0.1425
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.005 0.0229 0.1425
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.005 0.0229 0.0119
Onchocerca volvulus 0.0107 0.1607 0.3132
Echinococcus multilocularis serotonin receptor 0.005 0.0229 0.1425
Echinococcus granulosus Endonuclease G 0.0064 0.0566 0.3522
Schistosoma mansoni neuropeptide receptor 0.005 0.0229 0.0119
Echinococcus multilocularis rac serine:threonine kinase 0.0046 0.0111 0.0693
Schistosoma mansoni biogenic amine receptor 0.005 0.0229 0.0119
Echinococcus granulosus neuropeptide receptor 0.005 0.0229 0.1425
Schistosoma mansoni rhodopsin-like orphan GPCR 0.005 0.0229 0.0119
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.005 0.0229 0.1425
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0064 0.0566 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.005 0.0229 0.1425
Echinococcus granulosus rhodopsin orphan GPCR 0.005 0.0229 0.1425
Echinococcus granulosus g protein coupled receptor 0.005 0.0229 0.1425
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0107 0.1607 0.3132
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.005 0.0229 0.1425
Entamoeba histolytica PH domain containing protein kinase, putative 0.0046 0.0111 0.164
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.005 0.0229 0.1425
Schistosoma mansoni hypothetical protein 0.005 0.0229 0.0119
Schistosoma mansoni neuropeptide receptor 0.005 0.0229 0.0119
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0107 0.1607 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.005 0.0229 0.1425
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0107 0.1607 0.1512
Echinococcus granulosus tm gpcr rhodopsin 0.005 0.0229 0.1425
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0107 0.1607 1
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.023 0.4627 1
Echinococcus granulosus hypothetical protein 0.005 0.0229 0.1425
Echinococcus granulosus serine threonine protein kinase nrc 0.0041 0.0011 0.007
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.005 0.0229 0.1425
Schistosoma mansoni hypothetical protein 0.023 0.4627 0.4567
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0041 0.0011 0.007
Schistosoma mansoni alpha-1 adrenergic receptor 0.005 0.0229 0.0119
Schistosoma mansoni peptide (allatostatin)-like receptor 0.005 0.0229 0.0119
Echinococcus granulosus g protein coupled receptor 0.005 0.0229 0.1425
Echinococcus granulosus tm gpcr rhodopsin 0.005 0.0229 0.1425
Trichomonas vaginalis AGC family protein kinase 0.0066 0.0622 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.005 0.0229 0.1425
Echinococcus multilocularis neuropeptide FF receptor 2 0.005 0.0229 0.1425
Onchocerca volvulus 0.023 0.4627 1
Trichomonas vaginalis AGC family protein kinase 0.0066 0.0622 0.5
Echinococcus multilocularis orexin receptor type 2 0.005 0.0229 0.1425
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0107 0.1607 0.1512
Brugia malayi endonuclease G, mitochondrial precursor 0.0064 0.0566 0.0766
Trichomonas vaginalis AGC family protein kinase 0.0066 0.0622 0.5
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0064 0.0566 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0107 0.1607 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.005 0.0229 0.1425
Schistosoma mansoni hypothetical protein 0.005 0.0229 0.0119
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.005 0.0229 0.1425
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.005 0.0229 0.1425
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0064 0.0566 1
Echinococcus multilocularis neuropeptide Y receptor 0.005 0.0229 0.1425
Echinococcus multilocularis g-protein coupled receptor 0.005 0.0229 0.1425
Schistosoma mansoni biogenic amine (dopamine) receptor 0.005 0.0229 0.0119
Echinococcus granulosus rhodopsin orphan GPCR 0.005 0.0229 0.1425
Schistosoma mansoni biogenic amine (5HT) receptor 0.005 0.0229 0.0119
Echinococcus granulosus allatostatin A receptor 0.005 0.0229 0.1425
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.005 0.0229 0.0119
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.009 0.1197 0.7448
Echinococcus multilocularis sex peptide receptor 0.005 0.0229 0.1425
Echinococcus multilocularis neuropeptides capa receptor 0.005 0.0229 0.1425
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.005 0.0229 0.0119
Trichomonas vaginalis AGC family protein kinase 0.0066 0.0622 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.005 0.0229 0.1425
Echinococcus multilocularis neuropeptides capa receptor 0.005 0.0229 0.1425
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.005 0.0229 0.0119
Schistosoma mansoni rhodopsin-like orphan GPCR 0.005 0.0229 0.0119
Entamoeba histolytica PH domain containing protein kinase, putative 0.0046 0.0111 0.164
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.005 0.0229 0.0119
Schistosoma mansoni hypothetical protein 0.005 0.0229 0.0119
Echinococcus granulosus thyrotropin releasing hormone receptor 0.005 0.0229 0.1425
Echinococcus multilocularis rhodopsin orphan GPCR 0.005 0.0229 0.1425
Echinococcus multilocularis allatostatin A receptor 0.005 0.0229 0.1425
Echinococcus granulosus alpha 1A adrenergic receptor 0.005 0.0229 0.1425
Schistosoma mansoni rhodopsin-like orphan GPCR 0.005 0.0229 0.0119
Schistosoma mansoni biogenic amine (5HT) receptor 0.005 0.0229 0.0119
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0107 0.1607 1
Schistosoma mansoni amine GPCR 0.005 0.0229 0.0119
Schistosoma mansoni biogenic amine (dopamine) receptor 0.005 0.0229 0.0119
Echinococcus granulosus fmrfamide receptor 0.005 0.0229 0.1425
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.005 0.0229 0.1425
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.005 0.0229 0.0119
Brugia malayi Thrombospondin type 1 domain containing protein 0.023 0.4627 1
Entamoeba histolytica protein kinase, putative 0.0066 0.0622 1
Echinococcus granulosus neuropeptide receptor A26 0.005 0.0229 0.1425
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0107 0.1607 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0107 0.1607 1
Schistosoma mansoni neuropeptide F-like receptor 0.005 0.0229 0.0119
Brugia malayi Protein kinase domain containing protein 0.0066 0.0622 0.0893
Echinococcus multilocularis fmrfamide receptor 0.005 0.0229 0.1425
Echinococcus granulosus neuropeptide Y receptor 0.005 0.0229 0.1425
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0107 0.1607 1
Echinococcus multilocularis Endonuclease G 0.0064 0.0566 0.3522
Echinococcus granulosus orexin receptor type 2 0.005 0.0229 0.1425
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0064 0.0566 0.5
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0107 0.1607 1
Schistosoma mansoni neuropeptide f receptor 76f 0.005 0.0229 0.0119
Echinococcus multilocularis g protein coupled receptor 0.005 0.0229 0.1425
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.005 0.0229 0.1425
Echinococcus granulosus serotonin receptor 0.005 0.0229 0.1425
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.005 0.0229 0.1425
Schistosoma mansoni biogenic amine receptor 0.005 0.0229 0.0119
Echinococcus multilocularis fmrfamide receptor 0.005 0.0229 0.1425
Schistosoma mansoni rhodopsin-like orphan GPCR 0.005 0.0229 0.0119
Loa Loa (eye worm) AGC/AKT protein kinase 0.0066 0.0622 0.0893
Schistosoma mansoni growth hormone secretagogue receptor 0.005 0.0229 0.0119
Schistosoma mansoni rhodopsin-like orphan GPCR 0.005 0.0229 0.0119
Entamoeba histolytica protein kinase, putative 0.0066 0.0622 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.005 0.0229 0.1425
Schistosoma mansoni neuropeptide receptor 0.005 0.0229 0.0119
Echinococcus multilocularis G protein coupled receptor 139 0.005 0.0229 0.1425
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0062 0.0521 0.0665
Echinococcus granulosus rhodopsin orphan GPCR 0.005 0.0229 0.1425
Leishmania major endonuclease G, putative 0.0064 0.0566 0.5
Echinococcus granulosus neuropeptide s receptor 0.005 0.0229 0.1425
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0041 0.0011 0.5
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0107 0.1607 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.005 0.0229 0.1425
Echinococcus granulosus serine/threonine protein kinase 0.0046 0.0111 0.0693
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.005 0.0229 0.1425
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0107 0.1607 0.1512
Echinococcus granulosus g protein coupled receptor 0.005 0.0229 0.1425
Trypanosoma cruzi endonuclease G, putative 0.0064 0.0566 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.005 0.0229 0.0119
Echinococcus multilocularis serotonin receptor 0.005 0.0229 0.1425
Trypanosoma cruzi endonuclease G, putative 0.0064 0.0566 1
Schistosoma mansoni biogenic amine receptor 0.005 0.0229 0.0119
Loa Loa (eye worm) hypothetical protein 0.0107 0.1607 0.3132
Echinococcus granulosus rhodopsin orphan GPCR 0.005 0.0229 0.1425
Echinococcus multilocularis rhodopsin orphan GPCR 0.005 0.0229 0.1425
Loa Loa (eye worm) hypothetical protein 0.009 0.1197 0.22
Echinococcus granulosus neuropeptides capa receptor 0.005 0.0229 0.1425
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0046 0.0111 0.1805
Entamoeba histolytica protein kinase, putative 0.0062 0.0521 0.836
Schistosoma mansoni amine GPCR 0.005 0.0229 0.0119
Echinococcus granulosus somatostatin receptor 0.005 0.0229 0.1425
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.005 0.0229 0.1425
Echinococcus granulosus G protein coupled receptor 139 0.005 0.0229 0.1425
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.005 0.0229 0.0119
Schistosoma mansoni amine GPCR 0.005 0.0229 0.0119
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.005 0.0229 0.1425
Schistosoma mansoni rhodopsin-like orphan GPCR 0.005 0.0229 0.0119
Echinococcus multilocularis rhodopsin orphan GPCR 0.005 0.0229 0.1425
Echinococcus granulosus neuropeptides capa receptor 0.005 0.0229 0.1425
Echinococcus multilocularis tachykinin peptides receptor 99D 0.005 0.0229 0.1425
Echinococcus granulosus rhodopsin orphan GPCR 0.005 0.0229 0.1425
Echinococcus granulosus peptide allatostatin:somatostatin 0.005 0.0229 0.1425
Trichomonas vaginalis AGC family protein kinase 0.0066 0.0622 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.005 0.0229 0.1425
Echinococcus granulosus sex peptide receptor 0.005 0.0229 0.1425
Echinococcus granulosus dro:myosuppressin receptor 0.005 0.0229 0.1425
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0041 0.0011 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.005 0.0229 0.0119
Brugia malayi p70 ribosomal S6 kinase beta 0.0062 0.0521 0.0665
Echinococcus multilocularis rhodopsin orphan GPCR 0.005 0.0229 0.1425
Schistosoma mansoni rhodopsin-like orphan GPCR 0.005 0.0229 0.0119
Schistosoma mansoni opsin-like receptor 0.005 0.0229 0.0119
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0041 0.0011 0.007
Echinococcus granulosus 7tm_1 domain containing protein 0.005 0.0229 0.1425
Echinococcus granulosus biogenic amine 5HT receptor 0.005 0.0229 0.1425
Echinococcus multilocularis g protein coupled receptor 0.005 0.0229 0.1425
Echinococcus granulosus neuropeptide receptor 0.005 0.0229 0.1425
Echinococcus multilocularis neuropeptide Y receptor 0.005 0.0229 0.1425
Echinococcus multilocularis G-protein coupled receptor, putative 0.005 0.0229 0.1425
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0107 0.1607 0.1512
Echinococcus granulosus rhodopsin orphan GPCR 0.005 0.0229 0.1425
Trichomonas vaginalis AGC family protein kinase 0.0066 0.0622 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.005 0.0229 0.1425
Giardia lamblia Kinase, AGC PKA 0.0041 0.0011 0.5
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0107 0.1607 1
Echinococcus multilocularis dro:myosuppressin receptor 0.005 0.0229 0.1425
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.009 0.1197 0.7448
Schistosoma mansoni adenoreceptor 0.005 0.0229 0.0119
Echinococcus multilocularis somatostatin receptor 0.005 0.0229 0.1425
Schistosoma mansoni histamine h1 receptor 0.005 0.0229 0.0119
Schistosoma mansoni biogenic amine (dopamine) receptor 0.005 0.0229 0.0119
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0107 0.1607 1
Echinococcus granulosus neuropeptide Y receptor 0.005 0.0229 0.1425
Echinococcus granulosus tm gpcr rhodopsin 0.005 0.0229 0.1425
Echinococcus multilocularis neuropeptide receptor 0.005 0.0229 0.1425
Trichomonas vaginalis AGC family protein kinase 0.0066 0.0622 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.005 0.0229 0.1425
Echinococcus multilocularis neuropeptide receptor 0.005 0.0229 0.1425
Schistosoma mansoni myosin xvIII 0.005 0.0229 0.0119
Schistosoma mansoni amine GPCR 0.005 0.0229 0.0119
Schistosoma mansoni opsin-like receptor 0.005 0.0229 0.0119
Trypanosoma brucei rac serine-threonine kinase, putative 0.0066 0.0622 1
Echinococcus multilocularis g protein coupled receptor 0.005 0.0229 0.1425
Echinococcus multilocularis neuropeptide receptor A26 0.005 0.0229 0.1425
Schistosoma mansoni endonuclease related 0.0064 0.0566 0.046
Schistosoma mansoni rhodopsin-like orphan GPCR 0.005 0.0229 0.0119
Echinococcus granulosus neuropeptide FF receptor 2 0.005 0.0229 0.1425
Echinococcus multilocularis ectonucleotide 0.009 0.1197 0.7448
Echinococcus multilocularis rhodopsin orphan GPCR 0.005 0.0229 0.1425
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.005 0.0229 0.0119
Echinococcus granulosus g-protein coupled receptor 0.005 0.0229 0.1425
Echinococcus granulosus 7TM GPCR rhodopsin 0.005 0.0229 0.1425
Loa Loa (eye worm) hypothetical protein 0.0107 0.1607 0.3132
Schistosoma mansoni opsin-like receptor 0.005 0.0229 0.0119
Echinococcus multilocularis neuropeptide s receptor 0.005 0.0229 0.1425
Schistosoma mansoni hypothetical protein 0.005 0.0229 0.0119
Schistosoma mansoni neuropeptide receptor 0.005 0.0229 0.0119

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 25 nM In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cell ChEMBL. 10780916
Ki (binding) = 25 nM In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cell ChEMBL. 10780916
Ki (binding) = 98.9 nM In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1A adrenergic receptor ChEMBL. 10780916
Ki (binding) = 98.9 nM In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1A adrenergic receptor ChEMBL. 10780916
Ki (binding) = 1220 nM In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cell ChEMBL. 10780916
Ki (binding) = 1220 nM In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cell ChEMBL. 10780916
Selectivity ratio (binding) = 12.3 Ratio between Ki(alpha1b)/Ki(alpha1A) ChEMBL. 10780916

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

1 literature reference was collected for this gene.

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