Detailed information for compound 52680

Basic information

Technical information
  • TDR Targets ID: 52680
  • Name: 2-(2,6-dimethoxyphenoxy)-N-[[(2R,3R)-3-(4-met hylphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]m ethyl]ethanamine
  • MW: 435.512 | Formula: C26H29NO5
  • H donors: 1 H acceptors: 0 LogP: 4.78 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(cc1)C)OC
  • InChi: 1S/C26H29NO5/c1-18-11-13-19(14-12-18)25-24(31-20-7-4-5-8-21(20)32-25)17-27-15-16-30-26-22(28-2)9-6-10-23(26)29-3/h4-14,24-25,27H,15-17H2,1-3H3/t24-,25-/m1/s1
  • InChiKey: UNHGFWKSHHCRHF-JWQCQUIFSA-N  

Network

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Synonyms

  • 2-(2,6-dimethoxyphenoxy)-N-[[(2R,3R)-3-(p-tolyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ethanamine
  • 2-(2,6-dimethoxyphenoxy)ethyl-[[(2R,3R)-3-(p-tolyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]amine
  • 2-(2,6-dimethoxyphenoxy)ethyl-[[(2R,3R)-3-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Dopamine D2 receptor Starlite/ChEMBL References
Rattus norvegicus Adrenergic receptor alpha-1 Starlite/ChEMBL References
Rattus norvegicus Alpha-1a adrenergic receptor Starlite/ChEMBL References
Rattus norvegicus Alpha-1b adrenergic receptor Starlite/ChEMBL References
Rattus norvegicus Alpha-1d adrenergic receptor Starlite/ChEMBL References
Bos taurus Alpha-1a adrenergic receptor Starlite/ChEMBL References
Rattus norvegicus Adrenergic receptor alpha-2 Starlite/ChEMBL References
Homo sapiens adrenoceptor alpha 1B Starlite/ChEMBL References
Rattus norvegicus Serotonin 1a (5-HT1a) 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 Alpha-1D adrenergic receptor, putative Get druggable targets OG5_128924 All targets in OG5_128924
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma mansoni biogenic amine (5HT) receptor Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Get druggable targets OG5_128924 All targets in OG5_128924
Schistosoma japonicum expressed protein Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum Octopamine receptor, putative Get druggable targets OG5_133249 All targets in OG5_133249
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus granulosus biogenic amine 5HT receptor Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Serotonin 1a (5-HT1a) receptor   422 aa 444 aa 29.3 %
Loa Loa (eye worm) TYRA-2 protein Serotonin 1a (5-HT1a) receptor   422 aa 491 aa 27.3 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 426 aa 29.6 %
Schistosoma japonicum FMRFamide receptor, putative Alpha-1a adrenergic receptor   466 aa 374 aa 19.5 %
Onchocerca volvulus Adrenergic receptor alpha-2   450 aa 467 aa 25.1 %
Schistosoma mansoni amine GPCR Serotonin 1a (5-HT1a) receptor   422 aa 440 aa 31.6 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 407 aa 23.3 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Serotonin 1a (5-HT1a) receptor   422 aa 383 aa 30.5 %
Echinococcus multilocularis alpha 1A adrenergic receptor Adrenergic receptor alpha-2   450 aa 478 aa 20.7 %
Schistosoma japonicum Octopamine receptor, putative Dopamine D2 receptor   444 aa 456 aa 29.4 %
Echinococcus multilocularis g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 433 aa 22.4 %
Schistosoma japonicum Octopamine receptor 1, putative Serotonin 1a (5-HT1a) receptor   422 aa 424 aa 24.3 %
Echinococcus granulosus g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 23.4 %
Echinococcus granulosus orexin receptor type 2 Serotonin 1a (5-HT1a) receptor   422 aa 369 aa 22.0 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Serotonin 1a (5-HT1a) receptor   422 aa 477 aa 24.3 %
Schistosoma mansoni biogenic amine (dopamine) receptor Dopamine D2 receptor   444 aa 494 aa 26.3 %
Schistosoma mansoni biogenic amine (5HT) receptor Adrenergic receptor alpha-2   450 aa 433 aa 27.9 %
Echinococcus multilocularis neuropeptides capa receptor Serotonin 1a (5-HT1a) receptor   422 aa 430 aa 20.0 %
Echinococcus granulosus alpha 1A adrenergic receptor Serotonin 1a (5-HT1a) receptor   422 aa 452 aa 21.0 %
Echinococcus multilocularis g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 23.6 %
Echinococcus granulosus g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 24.3 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 436 aa 23.9 %
Echinococcus multilocularis serotonin receptor Dopamine D2 receptor   444 aa 428 aa 31.3 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Dopamine D2 receptor   444 aa 487 aa 23.8 %
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor Serotonin 1a (5-HT1a) receptor   422 aa 350 aa 20.6 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Serotonin 1a (5-HT1a) receptor   422 aa 448 aa 29.7 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Serotonin 1a (5-HT1a) receptor   422 aa 339 aa 23.0 %
Echinococcus multilocularis orexin receptor type 2 Serotonin 1a (5-HT1a) receptor   422 aa 369 aa 22.2 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Serotonin 1a (5-HT1a) receptor   422 aa 392 aa 20.7 %
Loa Loa (eye worm) hypothetical protein Serotonin 1a (5-HT1a) receptor   422 aa 388 aa 26.5 %
Onchocerca volvulus Alpha-1b adrenergic receptor   515 aa 429 aa 20.3 %
Schistosoma mansoni biogenic amine receptor Dopamine D2 receptor   444 aa 452 aa 30.1 %
Echinococcus granulosus biogenic amine 5HT receptor Alpha-1a adrenergic receptor   466 aa 408 aa 32.6 %
Echinococcus granulosus rhodopsin orphan GPCR Alpha-1a adrenergic receptor   466 aa 418 aa 20.3 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 390 aa 33.6 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Serotonin 1a (5-HT1a) receptor   422 aa 410 aa 27.8 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Serotonin 1a (5-HT1a) receptor   422 aa 417 aa 21.1 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Adrenergic receptor alpha-2   450 aa 473 aa 24.1 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Dopamine D2 receptor   444 aa 474 aa 23.4 %
Echinococcus multilocularis neuropeptide Y receptor Alpha-1a adrenergic receptor   466 aa 419 aa 19.6 %
Echinococcus multilocularis fmrfamide receptor Adrenergic receptor alpha-2   450 aa 366 aa 19.9 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus orexin receptor type 2 0.0174 0.0263 0.0372
Brugia malayi Matrixin family protein 0.0316 0.0565 0.0562
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0174 0.0263 0.0372
Schistosoma mansoni glutamate receptor NMDA 0.0258 0.0441 0.0568
Echinococcus multilocularis GPCR, family 2 0.0637 0.1249 0.1767
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0174 0.0263 0.0372
Echinococcus granulosus g protein coupled receptor 0.0174 0.0263 0.0372
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0174 0.0263 0.0372
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Schistosoma mansoni opsin-like receptor 0.0174 0.0263 0.0339
Brugia malayi neuropeptide F receptor 0.0174 0.0263 0.026
Brugia malayi hypothetical protein 0.0327 0.0588 0.0586
Onchocerca volvulus Neuropeptide F receptor homolog 0.0174 0.0263 0.0932
Loa Loa (eye worm) melatonin receptor type 1A 0.0174 0.0263 0.0263
Brugia malayi hypothetical protein 0.0174 0.0263 0.026
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0174 0.0263 0.0339
Loa Loa (eye worm) hypothetical protein 0.0385 0.0712 0.0712
Echinococcus multilocularis serotonin receptor 0.0469 0.089 0.1259
Schistosoma mansoni neuropeptide f receptor 76f 0.0174 0.0263 0.0339
Brugia malayi AKH receptor 0.0174 0.0263 0.026
Echinococcus granulosus rhodopsin orphan GPCR 0.0174 0.0263 0.0372
Echinococcus multilocularis g protein coupled receptor 0.0174 0.0263 0.0372
Echinococcus granulosus dihydrofolate reductase 0.0363 0.0664 0.094
Schistosoma mansoni biogenic amine receptor 0.0174 0.0263 0.0339
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0327 0.0588 0.0758
Brugia malayi Matrixin family protein 0.0914 0.1839 0.1837
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Brugia malayi hypothetical protein 0.0174 0.0263 0.026
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0327 0.0588 0.176
Echinococcus multilocularis rhodopsin orphan GPCR 0.0174 0.0263 0.0372
Onchocerca volvulus Matrilysin homolog 0.085 0.1704 0.95
Onchocerca volvulus 0.0327 0.0588 0.2865
Loa Loa (eye worm) hypothetical protein 0.0125 0.0157 0.0157
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0101 0.0106 0.015
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Echinococcus granulosus fmrfamide receptor 0.0174 0.0263 0.0372
Schistosoma mansoni histamine h1 receptor 0.0174 0.0263 0.0339
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.089 0.1788 0.2305
Loa Loa (eye worm) TYRA-2 protein 0.0174 0.0263 0.0263
Brugia malayi putative neuropeptide receptor 0.0174 0.0263 0.026
Schistosoma mansoni neuropeptide receptor 0.0174 0.0263 0.0339
Onchocerca volvulus 0.0174 0.0263 0.0932
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Brugia malayi Tachykinin-like peptides receptor 99D 0.0174 0.0263 0.026
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.1253 0.2562 0.9775
Echinococcus multilocularis g protein coupled receptor 0.0174 0.0263 0.0372
Echinococcus granulosus G protein coupled receptor 139 0.0174 0.0263 0.0372
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0174 0.0263 0.0339
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0174 0.0263 0.0372
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0174 0.0263 0.0339
Echinococcus granulosus somatostatin receptor 0.0174 0.0263 0.0372
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0174 0.0263 0.026
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0637 0.1249 0.1767
Onchocerca volvulus 0.0174 0.0263 0.0932
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0174 0.0263 0.0372
Brugia malayi Calcium binding EGF domain containing protein 0.0125 0.0157 0.0154
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Brugia malayi hypothetical protein 0.0423 0.0793 0.0791
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.1274 0.2607 1
Onchocerca volvulus 0.0174 0.0263 0.0932
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0174 0.0263 0.0339
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0327 0.0588 0.0758
Echinococcus multilocularis dro:myosuppressin receptor 0.0174 0.0263 0.0372
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0174 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0637 0.1249 0.1249
Onchocerca volvulus 0.0327 0.0588 0.2865
Plasmodium vivax aspartyl protease, putative 0.0565 0.1096 0.2516
Schistosoma mansoni growth hormone secretagogue receptor 0.0174 0.0263 0.0339
Echinococcus multilocularis fmrfamide receptor 0.0174 0.0263 0.0372
Brugia malayi G protein-coupled receptor F59B2.13 0.0174 0.0263 0.026
Loa Loa (eye worm) thymidylate synthase 0.089 0.1788 0.1788
Loa Loa (eye worm) hypothetical protein 0.0125 0.0157 0.0157
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Schistosoma mansoni amine GPCR 0.0174 0.0263 0.0339
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.1299 0.266 0.3764
Echinococcus granulosus neuropeptides capa receptor 0.0174 0.0263 0.0372
Echinococcus granulosus GPCR family 2 0.0637 0.1249 0.1767
Echinococcus granulosus rhodopsin orphan GPCR 0.0174 0.0263 0.0372
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Brugia malayi Matrixin family protein 0.0316 0.0565 0.0562
Echinococcus multilocularis neuropeptide FF receptor 2 0.0174 0.0263 0.0372
Onchocerca volvulus 0.0174 0.0263 0.0932
Schistosoma mansoni hypothetical protein 0.1376 0.2825 0.3641
Mycobacterium ulcerans thymidylate synthase 0.089 0.1788 1
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.3366 0.7066 1
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.1274 0.2607 0.369
Onchocerca volvulus 0.0174 0.0263 0.0932
Brugia malayi Fibulin-1 precursor 0.0125 0.0157 0.0154
Brugia malayi Dopamine receptor protein 1 0.0174 0.0263 0.026
Schistosoma mansoni biogenic amine receptor 0.0174 0.0263 0.0339
Schistosoma mansoni amine GPCR 0.0174 0.0263 0.0339
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0059 0.0017 0.0022
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0174 0.0263 0.0339
Brugia malayi larval opioid receptor 0.0174 0.0263 0.026
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0174 0.0263 0.0372
Brugia malayi sulfakinin receptor protein 0.0174 0.0263 0.026
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0174 0.0263 0.0339
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0174 0.0263 0.0263
Brugia malayi hypothetical protein 0.0174 0.0263 0.026
Echinococcus multilocularis neuropeptide receptor 0.1433 0.2945 0.4168
Echinococcus granulosus neuropeptide receptor A26 0.0174 0.0263 0.0372
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0363 0.0664 0.3506
Schistosoma mansoni neuropeptide receptor 0.0174 0.0263 0.0339
Echinococcus multilocularis neuropeptide receptor 0.0174 0.0263 0.0372
Schistosoma mansoni adenoreceptor 0.0174 0.0263 0.0339
Schistosoma mansoni hypothetical protein 0.0174 0.0263 0.0339
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0101 0.0106 0.015
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.089 0.1788 1
Schistosoma mansoni neuropeptide receptor 0.1433 0.2945 0.3797
Brugia malayi GnHR receptor homolog 0.0174 0.0263 0.026
Echinococcus granulosus rhodopsin orphan GPCR 0.0174 0.0263 0.0372
Plasmodium falciparum plasmepsin IX 0.0565 0.1096 0.2516
Echinococcus multilocularis thymidylate synthase 0.089 0.1788 0.2531
Onchocerca volvulus 0.0174 0.0263 0.0932
Loa Loa (eye worm) hypothetical protein 0.0469 0.089 0.089
Loa Loa (eye worm) dihydrofolate reductase 0.0363 0.0664 0.0664
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0129 0.0165 0.0213
Echinococcus multilocularis rhodopsin orphan GPCR 0.0174 0.0263 0.0372
Echinococcus multilocularis rhodopsin orphan GPCR 0.0174 0.0263 0.0372
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Brugia malayi Latrophilin receptor protein 2 0.0637 0.1249 0.1247
Schistosoma mansoni hypothetical protein 0.0637 0.1249 0.161
Echinococcus granulosus g protein coupled receptor 0.0174 0.0263 0.0372
Loa Loa (eye worm) hypothetical protein 0.0465 0.0883 0.0883
Brugia malayi Matrixin family protein 0.0316 0.0565 0.0562
Echinococcus multilocularis neuropeptides capa receptor 0.0174 0.0263 0.0372
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0327 0.0588 0.0758
Brugia malayi Dopamine receptor 0.0174 0.0263 0.026
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0423 0.0793 0.2799
Schistosoma mansoni neuropeptide F-like receptor 0.0174 0.0263 0.0339
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0174 0.0263 0.0372
Loa Loa (eye worm) hypothetical protein 0.0327 0.0588 0.0588
Brugia malayi G-protein coupled receptor 0.0174 0.0263 0.026
Toxoplasma gondii aspartyl protease 0.0327 0.0588 0.176
Schistosoma mansoni dihydrofolate reductase 0.0363 0.0664 0.0857
Onchocerca volvulus 0.0174 0.0263 0.0932
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0174 0.0263 0.0339
Echinococcus multilocularis rhodopsin orphan GPCR 0.0174 0.0263 0.0372
Echinococcus granulosus biogenic amine 5HT receptor 0.0174 0.0263 0.0372
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.1274 0.2607 0.369
Echinococcus multilocularis neuropeptide Y receptor 0.0174 0.0263 0.0372
Schistosoma mansoni hypothetical protein 0.0448 0.0847 0.1091
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Schistosoma mansoni neuropeptide F-like receptor 0.0174 0.0263 0.0339
Echinococcus multilocularis allatostatin A receptor 0.0174 0.0263 0.0372
Echinococcus multilocularis neuropeptide receptor A26 0.0174 0.0263 0.0372
Brugia malayi hypothetical protein 0.0174 0.0263 0.026
Plasmodium vivax aspartyl protease, putative 0.0565 0.1096 0.2516
Echinococcus granulosus tm gpcr rhodopsin 0.0174 0.0263 0.0372
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.089 0.1788 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0101 0.0106 0.0106
Schistosoma mansoni hypothetical protein 0.0637 0.1249 0.161
Schistosoma mansoni cathepsin D (A01 family) 0.369 0.7758 1
Onchocerca volvulus 0.0174 0.0263 0.0932
Echinococcus multilocularis rhodopsin orphan GPCR 0.0174 0.0263 0.0372
Mycobacterium leprae PROBABLE HYDROLASE 0.0385 0.0712 0.0421
Schistosoma mansoni egf-like domain protein 0.0125 0.0157 0.0202
Echinococcus granulosus dro:myosuppressin receptor 0.0174 0.0263 0.0372
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0174 0.0263 0.0372
Schistosoma mansoni amine GPCR 0.0174 0.0263 0.0339
Toxoplasma gondii aspartyl protease ASP3 0.0565 0.1096 0.3833
Loa Loa (eye worm) matrixin family protein 0.0914 0.1839 0.1839
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0174 0.0263 0.0339
Brugia malayi serine/threonine-protein kinase plk-2 0.0101 0.0106 0.0103
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0174 0.0263 0.0339
Loa Loa (eye worm) aspartyl protease 6 0.0327 0.0588 0.0588
Echinococcus granulosus 7TM GPCR rhodopsin 0.0174 0.0263 0.0372
Brugia malayi aspartic protease BmAsp-2, identical 0.0327 0.0588 0.0586
Loa Loa (eye worm) aspartic protease BmAsp-2 0.1274 0.2607 0.2607
Echinococcus granulosus glutamate NMDA receptor subunit 0.0258 0.0441 0.0624
Echinococcus granulosus membrane associated guanylate kinase ww and pdz 0.0071 0.0043 0.0061
Brugia malayi latrophilin 2 splice variant baaae 0.1376 0.2825 0.2823
Onchocerca volvulus 0.0174 0.0263 0.0932
Echinococcus multilocularis laminin 0.0125 0.0157 0.0222
Echinococcus granulosus alpha 1A adrenergic receptor 0.0174 0.0263 0.0372
Echinococcus multilocularis sex peptide receptor 0.0174 0.0263 0.0372
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0174 0.0263 0.0339
Echinococcus multilocularis G-protein coupled receptor, putative 0.0174 0.0263 0.0372
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Echinococcus granulosus nmda type glutamate receptor 0.0109 0.0123 0.0174
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0174 0.0263 0.0339
Onchocerca volvulus 0.0174 0.0263 0.0932
Echinococcus granulosus peptide allatostatin:somatostatin 0.0174 0.0263 0.0372
Brugia malayi Melatonin receptor type 1A 0.0174 0.0263 0.026
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.1274 0.2607 1
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0125 0.0157 0.0154
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0174 0.0263 0.0372
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0258 0.0441 0.0624
Echinococcus granulosus biogenic amine 5HT receptor 0.0469 0.089 0.1259
Loa Loa (eye worm) hypothetical protein 0.0125 0.0157 0.0157
Echinococcus granulosus neuropeptide receptor 0.0174 0.0263 0.0372
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0602 0.1174 0.1174
Echinococcus granulosus g protein coupled receptor 0.0174 0.0263 0.0372
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0174 0.0263 0.0372
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0327 0.0588 0.0758
Schistosoma mansoni hypothetical protein 0.0174 0.0263 0.0339
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Schistosoma mansoni memapsin-2 (A01 family) 0.0327 0.0588 0.0758
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.1253 0.2562 0.9775
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0174 0.0263 0.0339
Onchocerca volvulus 0.0174 0.0263 0.0932
Schistosoma mansoni amine GPCR 0.0174 0.0263 0.0339
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0174 0.0263 0.0372
Loa Loa (eye worm) hypothetical protein 0.0125 0.0157 0.0157
Plasmodium vivax aspartyl proteinase, putative 0.1274 0.2607 1
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0109 0.0123 0.0174
Brugia malayi Serotonin receptor 0.0174 0.0263 0.026
Brugia malayi hypothetical protein 0.0327 0.0588 0.0586
Brugia malayi G-protein coupled receptor 0.0174 0.0263 0.026
Loa Loa (eye worm) hypothetical protein 0.4742 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0174 0.0263 0.0372
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0174 0.0263 0.0339
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0174 0.0263 0.0372
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0174 0.0263 0.0339
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0174 0.0263 0.0372
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.1274 0.2607 0.3361
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0174 0.0263 0.0372
Loa Loa (eye worm) matrix metalloproteinase 0.0316 0.0565 0.0565
Brugia malayi hypothetical protein 0.0174 0.0263 0.026
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0327 0.0588 0.0758
Schistosoma mansoni hypothetical protein 0.0174 0.0263 0.0339
Echinococcus multilocularis g protein coupled receptor 0.0174 0.0263 0.0372
Echinococcus granulosus neuropeptide s receptor 0.0174 0.0263 0.0372
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0174 0.0263 0.026
Onchocerca volvulus 0.0174 0.0263 0.0932
Echinococcus multilocularis somatostatin receptor 0.0174 0.0263 0.0372
Echinococcus granulosus rhodopsin orphan GPCR 0.0174 0.0263 0.0372
Echinococcus granulosus serotonin receptor 0.0174 0.0263 0.0372
Loa Loa (eye worm) hypothetical protein 0.0316 0.0565 0.0565
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.1253 0.2562 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0327 0.0588 0.0758
Brugia malayi Eukaryotic aspartyl protease family protein 0.0327 0.0588 0.0586
Loa Loa (eye worm) neuropeptide F receptor 0.0174 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.1274 0.2607 0.2607
Echinococcus granulosus 7tm_1 domain containing protein 0.0174 0.0263 0.0372
Giardia lamblia Kinase, PLK 0.0101 0.0106 0.5
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0125 0.0157 0.0157
Brugia malayi hypothetical protein 0.0174 0.0263 0.026
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0174 0.0263 0.026
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0174 0.0263 0.0339
Mycobacterium ulcerans hydrolase 0.0385 0.0712 0.3779
Loa Loa (eye worm) hypothetical protein 0.0327 0.0588 0.0588
Chlamydia trachomatis dihydrofolate reductase 0.0363 0.0664 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0174 0.0263 0.0372
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0125 0.0157 0.0157
Schistosoma mansoni neuropeptide receptor 0.0174 0.0263 0.0339
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.1376 0.2825 0.2825
Schistosoma mansoni biogenic amine receptor 0.0174 0.0263 0.0339
Brugia malayi ORL1-like opioid receptor 0.0174 0.0263 0.026
Loa Loa (eye worm) matrixin family protein 0.0701 0.1386 0.1386
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0174 0.0263 0.0263
Brugia malayi neuropeptide F receptor 0.0174 0.0263 0.026
Loa Loa (eye worm) pigment dispersing factor receptor c 0.2013 0.4183 0.4183
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0174 0.0263 0.0932
Echinococcus multilocularis serotonin receptor 0.0469 0.089 0.1259
Echinococcus multilocularis Tolloid protein 1 0.0125 0.0157 0.0222
Onchocerca volvulus 0.0174 0.0263 0.0932
Echinococcus multilocularis fmrfamide receptor 0.0174 0.0263 0.0372
Toxoplasma gondii aspartyl protease ASP1 0.1274 0.2607 1
Echinococcus granulosus neuropeptide receptor 0.1433 0.2945 0.4168
Plasmodium falciparum plasmepsin VI 0.1274 0.2607 1
Brugia malayi hypothetical protein 0.0174 0.0263 0.026
Schistosoma mansoni biogenic amine (5HT) receptor 0.0469 0.089 0.1147
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Echinococcus multilocularis dihydrofolate reductase 0.0363 0.0664 0.094
Loa Loa (eye worm) hypothetical protein 0.0125 0.0157 0.0157
Brugia malayi Matrixin family protein 0.0316 0.0565 0.0562
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Schistosoma mansoni cathepsin D (A01 family) 0.369 0.7758 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0174 0.0263 0.0339
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Brugia malayi Serotonin receptor 0.0174 0.0263 0.026
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Plasmodium falciparum plasmepsin X 0.0565 0.1096 0.2516
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Echinococcus multilocularis fibrillin 1 0.0125 0.0157 0.0222
Echinococcus granulosus rhodopsin orphan GPCR 0.0174 0.0263 0.0372
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Brugia malayi Dopamine receptor protein 2 0.0174 0.0263 0.026
Schistosoma mansoni serine-type protease inhibitor 0.0432 0.0812 0.1046
Brugia malayi Hemopexin family protein 0.0448 0.0847 0.0844
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0637 0.1249 0.1247
Schistosoma mansoni opsin-like receptor 0.0174 0.0263 0.0339
Onchocerca volvulus Matrilysin homolog 0.0316 0.0565 0.2728
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0174 0.0263 0.0339
Brugia malayi Pepsin A precursor 0.0327 0.0588 0.0586
Loa Loa (eye worm) hypothetical protein 0.0316 0.0565 0.0565
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0174 0.0263 0.0339
Plasmodium falciparum plasmepsin I 0.1274 0.2607 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0174 0.0263 0.0372
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0078 0.0058 0.5
Onchocerca volvulus 0.0174 0.0263 0.0932
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0327 0.0588 0.0588
Onchocerca volvulus 0.0316 0.0565 0.2728
Leishmania major dihydrofolate reductase-thymidylate synthase 0.1253 0.2562 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.1253 0.2562 0.9815
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0174 0.0263 0.0372
Schistosoma mansoni opsin-like receptor 0.0174 0.0263 0.0339
Onchocerca volvulus 0.0448 0.0847 0.4403
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0174 0.0263 0.0263
Brugia malayi hypothetical protein 0.0174 0.0263 0.026
Plasmodium falciparum plasmepsin II 0.1274 0.2607 1
Brugia malayi aspartic protease BmAsp-1, identical 0.0327 0.0588 0.0586
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0125 0.0157 0.0202
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0174 0.0263 0.0339
Echinococcus granulosus hypothetical protein 0.0174 0.0263 0.0372
Schistosoma mansoni hypothetical protein 0.0174 0.0263 0.0339
Onchocerca volvulus Matrix metalloproteinase homolog 0.0701 0.1386 0.7608
Echinococcus granulosus tm gpcr rhodopsin 0.0174 0.0263 0.0372
Echinococcus multilocularis nmda type glutamate receptor 0.0109 0.0123 0.0174
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0078 0.0058 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.0003 0.0003
Echinococcus granulosus rhodopsin orphan GPCR 0.0174 0.0263 0.0372
Schistosoma mansoni myosin xvIII 0.0174 0.0263 0.0339
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0385 0.0712 0.3779
Echinococcus multilocularis neuropeptides capa receptor 0.0174 0.0263 0.0372
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.3366 0.7066 1
Brugia malayi hypothetical protein 0.0174 0.0263 0.026
Trichomonas vaginalis conserved hypothetical protein 0.0423 0.0793 0.2748
Echinococcus multilocularis neuropeptide s receptor 0.0174 0.0263 0.0372
Brugia malayi Angiotensin-converting enzyme family protein 0.0602 0.1174 0.1172
Echinococcus granulosus neuropeptides capa receptor 0.0174 0.0263 0.0372
Onchocerca volvulus 0.089 0.1788 1
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0363 0.0664 0.3506
Mycobacterium tuberculosis Hypothetical protein 0.0423 0.0793 0.4251
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0327 0.0588 0.0758
Schistosoma mansoni alpha-1 adrenergic receptor 0.0174 0.0263 0.0339
Schistosoma mansoni membrane associated guanylate kinase inverted related 0.0071 0.0043 0.0055
Loa Loa (eye worm) neuropeptide F receptor 0.0174 0.0263 0.0263
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0174 0.0263 0.026
Onchocerca volvulus 0.0174 0.0263 0.0932
Echinococcus granulosus neuropeptide FF receptor 2 0.0174 0.0263 0.0372
Echinococcus multilocularis g-protein coupled receptor 0.0174 0.0263 0.0372
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Echinococcus granulosus thymidylate synthase 0.089 0.1788 0.2531
Schistosoma mansoni serine/threonine protein kinase 0.0101 0.0106 0.0137
Onchocerca volvulus 0.0174 0.0263 0.0932
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.1253 0.2562 1
Echinococcus granulosus sex peptide receptor 0.0174 0.0263 0.0372
Brugia malayi dihydrofolate reductase family protein 0.0363 0.0664 0.0662
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0174 0.0263 0.0372
Echinococcus granulosus g-protein coupled receptor 0.0174 0.0263 0.0372
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Brugia malayi putative neuropeptide receptor NPR1 0.0174 0.0263 0.026
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Loa Loa (eye worm) latrophilin receptor protein 2 0.0637 0.1249 0.1249
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0174 0.0263 0.0339
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0465 0.0883 0.1138
Echinococcus granulosus tm gpcr rhodopsin 0.0174 0.0263 0.0372
Loa Loa (eye worm) G-protein coupled receptor 0.0174 0.0263 0.0263
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0174 0.0263 0.0372
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0174 0.0263 0.0263
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0125 0.0157 0.0157
Schistosoma mansoni biogenic amine (5HT) receptor 0.0174 0.0263 0.0339
Entamoeba histolytica serine/threonine protein kinase, putative 0.0101 0.0106 0.5
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0385 0.0712 0.0709
Echinococcus granulosus allatostatin A receptor 0.0174 0.0263 0.0372
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0174 0.0263 0.0372
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Echinococcus granulosus neuropeptide Y receptor 0.0174 0.0263 0.0372
Brugia malayi follicle stimulating hormone receptor 0.0174 0.0263 0.026
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Brugia malayi Dihydrofolate reductase 0.0363 0.0664 0.0662
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.1299 0.266 0.3764
Echinococcus multilocularis neuropeptide Y receptor 0.0174 0.0263 0.0372
Brugia malayi G protein-coupled receptor 0.0174 0.0263 0.026
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0174 0.0263 0.0372
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0174 0.0263 0.0372
Schistosoma mansoni amine GPCR 0.0774 0.1542 0.1988
Schistosoma mansoni hypothetical protein 0.0637 0.1249 0.161
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0174 0.0263 0.0339
Echinococcus granulosus laminin 0.0125 0.0157 0.0222
Brugia malayi Calcitonin receptor-like protein seb-1 0.2013 0.4183 0.4181
Plasmodium vivax plasmepsin IV, putative 0.1274 0.2607 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0174 0.0263 0.026
Echinococcus multilocularis 0.0071 0.0043 0.0061
Schistosoma mansoni hypothetical protein 0.0637 0.1249 0.161
Onchocerca volvulus Arrow homolog 0.0125 0.0157 0.0302
Echinococcus multilocularis G protein coupled receptor 139 0.1433 0.2945 0.4168
Loa Loa (eye worm) hypothetical protein 0.0469 0.089 0.089
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Echinococcus multilocularis rhodopsin orphan GPCR 0.0174 0.0263 0.0372
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Schistosoma mansoni serine-type protease inhibitor 0.0432 0.0812 0.1046
Brugia malayi RE15519p 0.0174 0.0263 0.026
Echinococcus granulosus Tolloid protein 1 0.0125 0.0157 0.0222
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Onchocerca volvulus 0.0174 0.0263 0.0932
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0637 0.1249 0.1767
Echinococcus multilocularis orexin receptor type 2 0.0174 0.0263 0.0372
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0327 0.0588 0.0758
Brugia malayi thymidylate synthase 0.089 0.1788 0.1786
Echinococcus multilocularis rhodopsin orphan GPCR 0.0174 0.0263 0.0372
Echinococcus granulosus neuropeptide Y receptor 0.0174 0.0263 0.0372
Loa Loa (eye worm) G-protein coupled receptor 0.0174 0.0263 0.0263
Brugia malayi hypothetical protein 0.0174 0.0263 0.026
Loa Loa (eye worm) hypothetical protein 0.0174 0.0263 0.0263
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0174 0.0263 0.0339
Plasmodium falciparum plasmepsin IV 0.1274 0.2607 1

Activities

Activity type Activity value Assay description Source Reference
-Log KB (binding) < 5 -logKB values of the compound was evaluated against clonidine in the isolated Rat Vas Deferens (e-denotes inactive up to 10 uM) ChEMBL. 8667368
-Log KB (binding) < 5 -logKB values of the compound was evaluated against clonidine in the isolated Rat Vas Deferens (e-denotes inactive up to 10 uM) ChEMBL. 8667368
Kd (functional) = 4.37 Tested for the alpha2-adrenoreceptor blocking activity by antagonism of clonidine-induced depression of the twitch responses of the field-stimulated prostatic portion of isolated rat vas deferens ChEMBL. 8098772
Kd (functional) = 7.59 pA2 values of the compound was evaluated against Alpha-1 adrenergic receptor in the isolated Rat Vas Deferens ChEMBL. 8667368
Kd (functional) = 8.69 Ex vivo alpha1-adrenoreceptor blocking activity by antagonism of (-)-norepinephrine -induced contractions of the epididymal portion of isolated rat vas deferens. ChEMBL. 8098772
Ki (binding) = 8.34 nM Binding affinity of the compound towards Alpha-1A adrenergic receptor in bovine brainusing [3H]-prazosin as radioligand ChEMBL. 8667368
Ki (binding) = 8.34 nM Binding affinity of the compound towards Alpha-1A adrenergic receptor in bovine brainusing [3H]-prazosin as radioligand ChEMBL. 8667368
Ki (binding) = 40.33 nM Binding affinity of the compound towards Alpha-1A adrenergic receptor in rat hipocampal membranes using [3H]-prazosin as radioligand ChEMBL. 8667368
Ki (binding) = 40.33 nM Binding affinity of the compound towards Alpha-1A adrenergic receptor in rat hipocampal membranes using [3H]-prazosin as radioligand ChEMBL. 8667368
Ki (binding) = 121.2 nM Binding affinity of the compound towards Alpha-1 adrenergic receptor in rat cerebral cortex using [3H]-prazosin as radioligand ChEMBL. 8667368
Ki (binding) = 121.2 nM Binding affinity of the compound towards Alpha-1 adrenergic receptor in rat cerebral cortex using [3H]-prazosin as radioligand ChEMBL. 8667368
Ki (binding) = 191.1 nM Binding affinity of the compound towards Alpha-1D adrenergic receptor in rat brain using [3H]-prazosin as radioligand ChEMBL. 8667368
Ki (binding) = 191.1 nM Binding affinity of the compound towards Alpha-1D adrenergic receptor in rat brain using [3H]-prazosin as radioligand ChEMBL. 8667368
Ki (binding) = 195.2 nM Binding affinity of the compound towards Alpha-1B adrenergic receptor hamster smooth muscle using [3H]-prazosin as radioligand ChEMBL. 8667368
Ki (binding) = 195.2 nM Binding affinity of the compound towards Alpha-1B adrenergic receptor hamster smooth muscle using [3H]-prazosin as radioligand ChEMBL. 8667368
Ki (binding) = 774.3 nM Binding affinity of the compound towards Alpha-1B adrenergic receptor in rat liver using [3H]-prazosin as radioligand ChEMBL. 8667368
Ki (binding) = 774.3 nM Binding affinity of the compound towards Alpha-1B adrenergic receptor in rat liver using [3H]-prazosin as radioligand ChEMBL. 8667368
Ki (binding) = 827.3 nM Binding affinity of the compound towards Dopamine receptor D2 in rat striatum using [3H]-spiperone as radioligand ChEMBL. 8667368
Ki (binding) = 827.3 nM Binding affinity of the compound towards Dopamine receptor D2 in rat striatum using [3H]-spiperone as radioligand ChEMBL. 8667368
Ki (binding) = 1262 nM Binding affinity of the compound towards 5-hydroxytryptamine 1A receptor in rat hypocampus membrane using [3H]-8-OH-DPAT as radioligand ChEMBL. 8667368
Ki (binding) = 1262 nM Binding affinity of the compound towards 5-hydroxytryptamine 1A receptor in rat hypocampus membrane using [3H]-8-OH-DPAT as radioligand ChEMBL. 8667368
Ki (binding) = 2142 nM Binding affinity of the compound towards Alpha-2 adrenergic receptor in rat cerebral cortex using [3H]-rauwolscine as radioligand ChEMBL. 8667368
Ki (binding) = 2142 nM Binding affinity of the compound towards Alpha-2 adrenergic receptor in rat cerebral cortex using [3H]-rauwolscine as radioligand ChEMBL. 8667368
pA2 (functional) = 4.37 Tested for the alpha2-adrenoreceptor blocking activity by antagonism of clonidine-induced depression of the twitch responses of the field-stimulated prostatic portion of isolated rat vas deferens ChEMBL. 8098772
pA2 (functional) = 7.59 pA2 values of the compound was evaluated against Alpha-1 adrenergic receptor in the isolated Rat Vas Deferens ChEMBL. 8667368
pA2 (functional) = 8.69 Ex vivo alpha1-adrenoreceptor blocking activity by antagonism of (-)-norepinephrine -induced contractions of the epididymal portion of isolated rat vas deferens. ChEMBL. 8098772
Ratio (binding) = 21000 Selectivity ratio is the antilog of the difference between pA2 values at alpha1- and alpha2- adrenoceptors ChEMBL. 8098772
Ratio (binding) > 390 Selectivity ratio between alpha1 and alpha-2 adrenoreceptor isolated from vas deferens ChEMBL. 8667368
Ratio (binding) = 21000 Selectivity ratio is the antilog of the difference between pA2 values at alpha1- and alpha2- adrenoceptors ChEMBL. 8098772

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

2 literature references were collected for this gene.

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