Detailed information for compound 1718403

Basic information

Technical information
  • TDR Targets ID: 1718403
  • Name: 2-(2,6-dimethoxyphenoxy)ethyl-[[(2R)-8-methox y-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]aza nium chloride
  • MW: 411.877 | Formula: C20H26ClNO6
  • H donors: 1 H acceptors: 0 LogP: 3.66 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1OCCNC[C@@H]1COc2c(O1)c(OC)ccc2)OC.Cl
  • InChi: 1S/C20H25NO6.ClH/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-18-9-5-8-17(24-3)20(18)27-14;/h4-9,14,21H,10-13H2,1-3H3;1H/t14-;/m1./s1
  • InChiKey: SVIGTXXLLPDUPU-PFEQFJNWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2,6-dimethoxyphenoxy)ethyl-[[(2R)-8-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ammonium chloride

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens adrenoceptor alpha 1B Starlite/ChEMBL References
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Starlite/ChEMBL References
Homo sapiens adrenoceptor alpha 1D Starlite/ChEMBL References
Homo sapiens adrenoceptor alpha 1A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative 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 mansoni biogenic amine (5HT) receptor 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
Loa Loa (eye worm) hypothetical protein 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
Echinococcus granulosus biogenic amine 5HT receptor Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma mansoni amine GPCR Get druggable targets OG5_128924 All targets in OG5_128924
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
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
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 g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 23.6 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Serotonin 1a (5-HT1a) receptor   422 aa 417 aa 21.1 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 407 aa 23.3 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 390 aa 33.6 %
Echinococcus multilocularis neuropeptides capa receptor Serotonin 1a (5-HT1a) receptor   422 aa 430 aa 20.0 %
Echinococcus granulosus orexin receptor type 2 Serotonin 1a (5-HT1a) receptor   422 aa 369 aa 22.0 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Serotonin 1a (5-HT1a) receptor   422 aa 448 aa 29.7 %
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor Serotonin 1a (5-HT1a) receptor   422 aa 350 aa 20.6 %
Schistosoma mansoni amine GPCR Serotonin 1a (5-HT1a) receptor   422 aa 440 aa 31.6 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 436 aa 23.9 %
Echinococcus granulosus g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 23.4 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Serotonin 1a (5-HT1a) receptor   422 aa 392 aa 20.7 %
Echinococcus multilocularis g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 433 aa 22.4 %
Echinococcus granulosus alpha 1A adrenergic receptor Serotonin 1a (5-HT1a) receptor   422 aa 452 aa 21.0 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Serotonin 1a (5-HT1a) receptor   422 aa 339 aa 23.0 %
Schistosoma japonicum Octopamine receptor 1, putative Serotonin 1a (5-HT1a) receptor   422 aa 424 aa 24.3 %
Loa Loa (eye worm) TYRA-2 protein Serotonin 1a (5-HT1a) receptor   422 aa 491 aa 27.3 %
Loa Loa (eye worm) hypothetical protein Serotonin 1a (5-HT1a) receptor   422 aa 388 aa 26.5 %
Echinococcus multilocularis orexin receptor type 2 Serotonin 1a (5-HT1a) receptor   422 aa 369 aa 22.2 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Serotonin 1a (5-HT1a) receptor   422 aa 444 aa 29.3 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Serotonin 1a (5-HT1a) receptor   422 aa 410 aa 27.8 %
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 426 aa 29.6 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Serotonin 1a (5-HT1a) receptor   422 aa 477 aa 24.3 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Serotonin 1a (5-HT1a) receptor   422 aa 383 aa 30.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0243 0.1537 0.2472
Loa Loa (eye worm) hypothetical protein 0.0243 0.1537 0.2472
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0084 0.0371 0.058
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0101 0.0128
Brugia malayi Pre-SET motif family protein 0.021 0.1295 0.2069
Brugia malayi notch-like transmembrane receptor 0.0243 0.1537 0.2462
Brugia malayi PAN domain containing protein 0.0055 0.0162 0.0227
Echinococcus multilocularis acetylcholinesterase 0.0275 0.1765 0.1747
Onchocerca volvulus 0.0559 0.3845 0.6168
Plasmodium falciparum ataxin-2 like protein, putative 0.0102 0.0499 0.0788
Schistosoma mansoni slit 0.0243 0.1537 0.1518
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0122 0.01
Echinococcus granulosus acetylcholinesterase 0.0275 0.1765 0.1747
Loa Loa (eye worm) hypothetical protein 0.0046 0.0096 0.0133
Loa Loa (eye worm) hypothetical protein 0.0278 0.1793 0.2888
Echinococcus granulosus dna polymerase eta 0.0045 0.0087 0.0065
Echinococcus multilocularis tissue type plasminogen activator 0.0877 0.6175 0.6166
Echinococcus multilocularis fibrillin 1 0.0624 0.4319 0.4307
Schistosoma mansoni cercarial elastase (S01 family) 0.0278 0.1793 0.1775
Loa Loa (eye worm) Notch2 0.0243 0.1537 0.2472
Brugia malayi EGF-like domain containing protein 0.0243 0.1537 0.2462
Mycobacterium tuberculosis Probable esterase LipL 0.0073 0.0291 0.0917
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0278 0.1793 0.2878
Schistosoma mansoni hypothetical protein 0.0063 0.0219 0.0197
Plasmodium falciparum ataxin-2 like protein, putative 0.0102 0.0499 0.0788
Schistosoma mansoni DNA polymerase eta 0.0045 0.0087 0.0065
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0199 0.1211 0.1192
Brugia malayi Calcitonin receptor-like protein seb-1 0.02 0.1218 0.1944
Schistosoma mansoni hypothetical protein 0.0243 0.1537 0.1518
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0278 0.1793 0.1775
Onchocerca volvulus Arrow homolog 0.0624 0.4319 0.6948
Loa Loa (eye worm) hypothetical protein 0.0103 0.0509 0.0804
Echinococcus multilocularis neurogenic locus notch protein 0.0243 0.1537 0.1518
Schistosoma mansoni cercarial elastase (S01 family) 0.0278 0.1793 0.1775
Echinococcus granulosus laminin 0.0624 0.4319 0.4307
Loa Loa (eye worm) trypsin family protein 0.0278 0.1793 0.2888
Loa Loa (eye worm) hypothetical protein 0.0559 0.3845 0.6219
Brugia malayi Trypsin family protein 0.0278 0.1793 0.2878
Schistosoma mansoni hypothetical protein 0.0278 0.1793 0.1775
Loa Loa (eye worm) acetylcholinesterase 1 0.0275 0.1765 0.2843
Loa Loa (eye worm) hypothetical protein 0.0243 0.1537 0.2472
Loa Loa (eye worm) hypothetical protein 0.0084 0.0371 0.0579
Loa Loa (eye worm) hypothetical protein 0.0278 0.1793 0.2888
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.1295 0.2079
Onchocerca volvulus 0.0055 0.0162 0.0109
Mycobacterium ulcerans hypothetical protein 0.0047 0.0101 0.049
Echinococcus granulosus protein jagged 1 0.0243 0.1537 0.1518
Onchocerca volvulus 0.005 0.0122 0.0043
Schistosoma mansoni hypothetical protein 0.0081 0.0349 0.0327
Echinococcus multilocularis neurogenic locus notch protein 4 0.0243 0.1537 0.1518
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0278 0.1793 0.1775
Schistosoma mansoni biogenic amine (5HT) receptor 0.0179 0.1066 0.1046
Schistosoma mansoni hypothetical protein 0.0171 0.1009 0.0989
Schistosoma mansoni hypothetical protein 0.0063 0.0219 0.0197
Onchocerca volvulus 0.0278 0.1793 0.2792
Mycobacterium ulcerans lipase LipD 0.0073 0.0291 0.1555
Echinococcus granulosus Mastin 0.0278 0.1793 0.1775
Onchocerca volvulus 0.0153 0.0873 0.1279
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0063 0.0219 0.0197
Brugia malayi Cadherin domain containing protein 0.0243 0.1537 0.2462
Loa Loa (eye worm) hypothetical protein 0.0624 0.4319 0.6988
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0073 0.0291 0.1555
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0084 0.0371 0.0349
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.0096 0.0074
Plasmodium vivax ataxin-2 like protein, putative 0.0102 0.0499 0.0788
Echinococcus multilocularis survival motor neuron protein 1 0.0239 0.1504 0.1486
Schistosoma mansoni hypothetical protein 0.0063 0.0219 0.0197
Onchocerca volvulus 0.0073 0.0291 0.0321
Loa Loa (eye worm) hypothetical protein 0.0243 0.1537 0.2472
Mycobacterium leprae conserved hypothetical protein 0.0073 0.0291 1
Toxoplasma gondii calcium binding egf domain-containing protein 0.0624 0.4319 0.6914
Loa Loa (eye worm) pigment dispersing factor receptor c 0.02 0.1218 0.1954
Onchocerca volvulus 0.0055 0.0162 0.0109
Mycobacterium tuberculosis Carboxylesterase LipT 0.0046 0.0096 0.0302
Echinococcus granulosus glycoprotein Antigen 5 0.0278 0.1793 0.1775
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0278 0.1793 0.1775
Toxoplasma gondii PAN domain-containing protein 0.0641 0.4448 0.7129
Schistosoma mansoni hypothetical protein 0.0243 0.1537 0.1518
Loa Loa (eye worm) hypothetical protein 0.0243 0.1537 0.2472
Onchocerca volvulus 0.0243 0.1537 0.2371
Echinococcus granulosus protein jagged 2 0.0243 0.1537 0.1518
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0101 0.0023
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.0014 0.0044
Onchocerca volvulus 0.0055 0.0162 0.0109
Onchocerca volvulus Putative cubilin 0.0243 0.1537 0.2371
Loa Loa (eye worm) hypothetical protein 0.0243 0.1537 0.2472
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.017 0.1001 0.0981
Brugia malayi CHE-14 protein 0.0084 0.0371 0.0567
Echinococcus granulosus sterol regulatory element binding protein 0.0084 0.0371 0.035
Schistosoma mansoni survival motor neuron protein 0.0049 0.0113 0.0091
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0047 0.0101 0.049
Schistosoma mansoni hypothetical protein 0.0243 0.1537 0.1518
Onchocerca volvulus 0.0243 0.1537 0.2371
Onchocerca volvulus Huntingtin homolog 0.0124 0.0662 0.0932
Loa Loa (eye worm) hypothetical protein 0.0243 0.1537 0.2472
Echinococcus multilocularis neuroligin 0.0046 0.0096 0.0074
Mycobacterium tuberculosis Conserved protein 0.0073 0.0291 0.0917
Onchocerca volvulus 0.0055 0.0162 0.0109
Echinococcus multilocularis beta LACTamase domain containing family member 0.0073 0.0291 0.0269
Schistosoma mansoni microtubule-associated protein tau 0.14 1 1
Schistosoma mansoni hypothetical protein 0.0081 0.0349 0.0327
Schistosoma mansoni cercarial elastase (S01 family) 0.0278 0.1793 0.1775
Echinococcus multilocularis microtubule associated protein 2 0.14 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0278 0.1793 0.1775
Loa Loa (eye worm) hypothetical protein 0.02 0.1218 0.1954
Schistosoma mansoni notch 0.0243 0.1537 0.1518
Toxoplasma gondii EGF family domain-containing protein 0.0243 0.1537 0.2287
Echinococcus granulosus para nitrobenzyl esterase 0.0046 0.0096 0.0074
Schistosoma mansoni hypothetical protein 0.0171 0.1009 0.0989
Brugia malayi Carboxylesterase family protein 0.0275 0.1765 0.2833
Echinococcus multilocularis protein jagged 1 0.0243 0.1537 0.1518
Loa Loa (eye worm) hypothetical protein 0.0179 0.1066 0.1707
Mycobacterium tuberculosis Conserved protein 0.0073 0.0291 0.0917
Trypanosoma brucei PAB1-binding protein , putative 0.0102 0.0499 1
Schistosoma mansoni hypothetical protein 0.0278 0.1793 0.1775
Brugia malayi Cadherin domain containing protein 0.0243 0.1537 0.2462
Onchocerca volvulus 0.0278 0.1793 0.2792
Echinococcus granulosus tumor protein p63 0.0341 0.2254 0.2237
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.0096 0.0074
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0278 0.1793 0.1775
Loa Loa (eye worm) hypothetical protein 0.0047 0.0101 0.0142
Trypanosoma cruzi PAB1-binding protein , putative 0.0102 0.0499 0.0677
Trypanosoma cruzi hypothetical protein, conserved 0.0877 0.6175 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0096 0.0133
Loa Loa (eye worm) hypothetical protein 0.0084 0.0371 0.058
Toxoplasma gondii calcium binding egf domain-containing protein 0.0624 0.4319 0.6914
Loa Loa (eye worm) hypothetical protein 0.0624 0.4319 0.6988
Echinococcus multilocularis neural cadherin 0.0243 0.1537 0.1518
Onchocerca volvulus 0.0055 0.0162 0.0109
Echinococcus multilocularis transmembrane protease serine 3 0.0278 0.1793 0.1775
Loa Loa (eye worm) hypothetical protein 0.0243 0.1537 0.2472
Schistosoma mansoni amine GPCR 0.0832 0.5844 0.5835
Echinococcus granulosus neurogenic locus notch protein 0.0243 0.1537 0.1518
Brugia malayi latrophilin 2 splice variant baaae 0.0137 0.0756 0.1192
Echinococcus granulosus protein jagged 1 0.0243 0.1537 0.1518
Schistosoma mansoni hypothetical protein 0.0081 0.0349 0.0327
Loa Loa (eye worm) carboxylesterase 0.0275 0.1765 0.2843
Onchocerca volvulus 0.024 0.1509 0.2326
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.0096 0.0074
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0278 0.1793 0.1775
Echinococcus multilocularis Coagulation factor 5 8 type, C terminal 0.0074 0.0296 0.0274
Loa Loa (eye worm) PAN domain-containing protein 0.0055 0.0162 0.024
Loa Loa (eye worm) hypothetical protein 0.0243 0.1537 0.2472
Echinococcus multilocularis L aminoadipate semialdehyde 0.0084 0.0371 0.0349
Brugia malayi Carboxylesterase family protein 0.0046 0.0096 0.0119
Brugia malayi Carboxylesterase family protein 0.0275 0.1765 0.2833
Onchocerca volvulus 0.0055 0.0162 0.0109
Echinococcus granulosus transient receptor potential cation channel 0.0175 0.1039 0.1019
Brugia malayi beta-lactamase family protein 0.0073 0.0291 0.0436
Brugia malayi EGF-like domain containing protein 0.0243 0.1537 0.2462
Loa Loa (eye worm) hypothetical protein 0.0073 0.0291 0.0449
Loa Loa (eye worm) PAN domain-containing protein 0.0055 0.0162 0.024
Loa Loa (eye worm) hypothetical protein 0.0275 0.1765 0.2843
Loa Loa (eye worm) hypothetical protein 0.0179 0.1066 0.1707
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0278 0.1793 0.1775
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0196 0.1189 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0046 0.0096 0.0074
Echinococcus multilocularis protein patched 0.0084 0.0371 0.035
Loa Loa (eye worm) hypothetical protein 0.0624 0.4319 0.6988
Brugia malayi hypothetical protein 0.0239 0.1504 0.2409
Echinococcus granulosus transmembrane protease serine 3 0.0278 0.1793 0.1775
Echinococcus granulosus tissue type plasminogen activator 0.0877 0.6175 0.6166
Brugia malayi hypothetical protein 0.0278 0.1793 0.2878
Echinococcus multilocularis slit 2 protein 0.0243 0.1537 0.1518
Loa Loa (eye worm) hypothetical protein 0.0124 0.0662 0.1052
Echinococcus multilocularis tumor protein p63 0.0341 0.2254 0.2237
Loa Loa (eye worm) hypothetical protein 0.0243 0.1537 0.2472
Loa Loa (eye worm) hypothetical protein 0.0055 0.0162 0.024
Schistosoma mansoni cercarial elastase (S01 family) 0.0278 0.1793 0.1775
Echinococcus multilocularis acetylcholinesterase 0.0275 0.1765 0.1747
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.0291 0.1381
Schistosoma mansoni gliotactin 0.0046 0.0096 0.0074
Brugia malayi Carboxylesterase family protein 0.0046 0.0096 0.0119
Toxoplasma gondii kringle domain-containing protein 0.0877 0.6175 1
Schistosoma mansoni hypothetical protein 0.0081 0.0349 0.0327
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0063 0.0219 0.0319
Echinococcus multilocularis dna polymerase eta 0.0045 0.0087 0.0065
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.0291 0.1381
Schistosoma mansoni cercarial elastase (S01 family) 0.0278 0.1793 0.1775
Trichomonas vaginalis esterase, putative 0.0073 0.0291 0.1381
Brugia malayi Trypsin-like protease protein 5 0.0278 0.1793 0.2878
Mycobacterium tuberculosis Probable lipase LipD 0.0073 0.0291 0.0917
Echinococcus granulosus BC026374 protein S09 family 0.0046 0.0096 0.0074
Trichomonas vaginalis set domain proteins, putative 0.0239 0.1507 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.0101 0.0678
Loa Loa (eye worm) hypothetical protein 0.0243 0.1537 0.2472
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0624 0.4319 0.6988
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0046 0.0096 0.0074
Onchocerca volvulus 0.0055 0.0162 0.0109
Echinococcus granulosus protein jagged 2 0.0243 0.1537 0.1518
Echinococcus multilocularis Niemann Pick C1 protein 0.028 0.1804 0.1786
Echinococcus granulosus ankyrin repeat protein 0.017 0.1001 0.0981
Schistosoma mansoni cercarial elastase (S01 family) 0.0278 0.1793 0.1775
Loa Loa (eye worm) hypothetical protein 0.0278 0.1793 0.2888
Onchocerca volvulus 0.0049 0.0113 0.0028
Loa Loa (eye worm) hypothetical protein 0.0196 0.1189 0.1907
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0047 0.0101 0.049
Schistosoma mansoni hypothetical protein 0.0243 0.1537 0.1518
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0819 0.5751 0.5742
Echinococcus multilocularis notch 0.0243 0.1537 0.1518
Loa Loa (eye worm) hypothetical protein 0.0278 0.1793 0.2888
Mycobacterium ulcerans hypothetical protein 0.0073 0.0291 0.1555
Onchocerca volvulus Huntingtin homolog 0.0124 0.0662 0.0932
Loa Loa (eye worm) hypothetical protein 0.0243 0.1537 0.2472
Onchocerca volvulus 0.0055 0.0162 0.0109
Echinococcus granulosus biogenic amine 5HT receptor 0.0179 0.1066 0.1046
Brugia malayi PAN domain containing protein 0.0055 0.0162 0.0227
Echinococcus multilocularis fat cadherin tumor suppressor 0.0243 0.1537 0.1518
Echinococcus multilocularis geminin 0.0171 0.1009 0.0989
Loa Loa (eye worm) beta-lactamase 0.0073 0.0291 0.0449
Loa Loa (eye worm) hypothetical protein 0.0243 0.1537 0.2472
Brugia malayi Protein kinase domain containing protein 0.0877 0.6175 1
Brugia malayi EGF-like domain containing protein 0.0243 0.1537 0.2462
Brugia malayi Niemann-Pick C1 protein precursor 0.0196 0.1189 0.1897
Schistosoma mansoni cercarial elastase (S01 family) 0.0278 0.1793 0.1775
Echinococcus multilocularis serotonin receptor 0.0179 0.1066 0.1046
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0073 0.0291 0.0436
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0073 0.0291 0.0917
Mycobacterium ulcerans esterase/lipase LipP 0.0073 0.0291 0.1555
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0084 0.0371 0.0567
Echinococcus granulosus neurogenic locus notch protein 4 0.0243 0.1537 0.1518
Schistosoma mansoni hypothetical protein 0.0243 0.1537 0.1518
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0877 0.6175 1
Onchocerca volvulus 0.0278 0.1793 0.2792
Loa Loa (eye worm) hypothetical protein 0.0047 0.0101 0.0142
Plasmodium vivax hypothetical protein, conserved 0.0073 0.0291 0.0449
Leishmania major hypothetical protein, conserved 0.0877 0.6175 1
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0243 0.1537 0.1518
Echinococcus granulosus expressed conserved protein 0.0184 0.1102 0.1082
Loa Loa (eye worm) hypothetical protein 0.0243 0.1537 0.2472
Mycobacterium ulcerans hypothetical protein 0.0278 0.1793 1
Schistosoma mansoni hypothetical protein 0.0243 0.1537 0.1518
Echinococcus granulosus Tolloid protein 1 0.0624 0.4319 0.4307
Loa Loa (eye worm) hypothetical protein 0.0153 0.0873 0.1395
Loa Loa (eye worm) hypothetical protein 0.0243 0.1537 0.2472
Echinococcus granulosus enteropeptidase 0.0278 0.1793 0.1775
Loa Loa (eye worm) PAN domain-containing protein 0.0055 0.0162 0.024
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.0291 0.0269
Onchocerca volvulus Neurogenic locus notch homolog 0.0244 0.1539 0.2374
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0073 0.0291 0.0917
Echinococcus multilocularis expressed conserved protein 0.0184 0.1102 0.1082
Loa Loa (eye worm) hypothetical protein 0.0063 0.0219 0.0332
Brugia malayi hypothetical protein 0.0046 0.0096 0.0119
Onchocerca volvulus 0.0047 0.0101 0.0009
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0278 0.1793 0.1775
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0291 0.0334
Schistosoma mansoni notch 0.0243 0.1537 0.1518
Echinococcus multilocularis serotonin receptor 0.0179 0.1066 0.1046
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0278 0.1793 0.1775
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0624 0.4319 0.6988
Schistosoma mansoni BC026374 protein (S09 family) 0.0046 0.0096 0.0074
Loa Loa (eye worm) hypothetical protein 0.0102 0.0499 0.0788
Echinococcus multilocularis enteropeptidase 0.0278 0.1793 0.1775
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0291 0.1381
Brugia malayi Calcium binding EGF domain containing protein 0.0243 0.1537 0.2462
Brugia malayi ImpB/MucB/SamB family protein 0.0045 0.0087 0.0106
Schistosoma mansoni notch 0.0243 0.1537 0.1518
Brugia malayi PAN domain containing protein 0.0055 0.0162 0.0227
Echinococcus granulosus fibropellin Ia 0.0243 0.1537 0.1518
Brugia malayi hypothetical protein 0.0153 0.0873 0.1383
Loa Loa (eye worm) hypothetical protein 0.0055 0.0162 0.024
Echinococcus multilocularis GPCR, family 2 0.0063 0.0219 0.0197
Toxoplasma gondii PAN domain-containing protein 0.0641 0.4448 0.7129
Echinococcus multilocularis neurogenic locus protein delta 0.0243 0.1537 0.1518
Onchocerca volvulus 0.028 0.1808 0.2817
Trypanosoma brucei hypothetical protein, conserved 0.0073 0.0291 0.4937
Brugia malayi EGF-like domain containing protein 0.0243 0.1537 0.2462
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.02 0.1218 0.1944
Brugia malayi hypothetical protein 0.0066 0.0236 0.0347
Loa Loa (eye worm) hypothetical protein 0.005 0.0122 0.0175
Loa Loa (eye worm) hypothetical protein 0.0046 0.0096 0.0133
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0073 0.0291 0.0449
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0046 0.0096 0.0302
Onchocerca volvulus 0.0055 0.0162 0.0109
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0278 0.1793 0.1775
Loa Loa (eye worm) hypothetical protein 0.0243 0.1537 0.2472
Echinococcus multilocularis BC026374 protein (S09 family) 0.0046 0.0096 0.0074
Echinococcus multilocularis neurogenic locus notch protein 0.0243 0.1537 0.1518
Loa Loa (eye worm) hypothetical protein 0.0243 0.1537 0.2472
Echinococcus multilocularis transient receptor potential cation channel 0.0175 0.1041 0.1021
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0113 0.0147
Schistosoma mansoni hypothetical protein 0.0063 0.0219 0.0197
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0101 0.0023
Echinococcus granulosus L aminoadipate semialdehyde 0.0084 0.0371 0.0349
Loa Loa (eye worm) hypothetical protein 0.0055 0.0162 0.024
Echinococcus granulosus geminin 0.0171 0.1009 0.0989
Onchocerca volvulus 0.0073 0.0291 0.0321
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0624 0.4319 0.6988
Brugia malayi Calcium binding EGF domain containing protein 0.0624 0.4319 0.6984
Brugia malayi Muscle positioning protein 4 0.0243 0.1537 0.2462
Loa Loa (eye worm) hypothetical protein 0.0045 0.0087 0.0119
Brugia malayi PAN domain containing protein 0.0055 0.0162 0.0227
Schistosoma mansoni laminin gamma-3 chain 0.0243 0.1537 0.1518
Mycobacterium leprae Probable lipase LipE 0.0073 0.0291 1
Mycobacterium tuberculosis Conserved protein 0.0073 0.0291 0.0917
Echinococcus granulosus neural cadherin 0.0243 0.1537 0.1518
Trypanosoma cruzi PAB1-binding protein , putative 0.0102 0.0499 0.0677
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0063 0.0219 0.0197
Loa Loa (eye worm) hypothetical protein 0.0624 0.4319 0.6988
Echinococcus multilocularis protein jagged 1 0.0243 0.1537 0.1518
Onchocerca volvulus 0.0243 0.1537 0.2371
Schistosoma mansoni acetylcholinesterase 0.0046 0.0096 0.0074
Brugia malayi Carboxylesterase family protein 0.0046 0.0096 0.0119
Brugia malayi Trypsin family protein 0.0278 0.1793 0.2878
Loa Loa (eye worm) transcription factor SMAD2 0.0135 0.0744 0.1185
Schistosoma mansoni dock 0.0074 0.0296 0.0274
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0046 0.0096 0.0074
Echinococcus multilocularis carboxylesterase 5A 0.0275 0.1765 0.1747
Leishmania major hypothetical protein, conserved 0.0073 0.0291 0.0334
Loa Loa (eye worm) notch protein 0.0243 0.1537 0.2472
Brugia malayi beta-lactamase 0.0073 0.0291 0.0436
Echinococcus granulosus delta-like protein 1 0.0243 0.1537 0.1518
Echinococcus multilocularis Mastin 0.0278 0.1793 0.1775
Brugia malayi Calcium binding EGF domain containing protein 0.0243 0.1537 0.2462
Schistosoma mansoni cercarial elastase (S01 family) 0.0278 0.1793 0.1775
Schistosoma mansoni hypothetical protein 0.0046 0.009 0.0067
Loa Loa (eye worm) hypothetical protein 0.0243 0.1537 0.2472
Brugia malayi Trypsin family protein 0.0559 0.3845 0.6214
Echinococcus multilocularis protein dispatched 1 0.0096 0.0458 0.0437
Onchocerca volvulus 0.0278 0.1793 0.2792
Loa Loa (eye worm) hypothetical protein 0.0073 0.0291 0.0449
Onchocerca volvulus 0.0073 0.0291 0.0321
Brugia malayi Carboxylesterase family protein 0.0046 0.0096 0.0119
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0275 0.1765 0.1747
Brugia malayi PAN domain containing protein 0.0055 0.0162 0.0227
Loa Loa (eye worm) hypothetical protein 0.0635 0.4405 0.7127
Mycobacterium ulcerans beta-lactamase 0.0073 0.0291 0.1555
Schistosoma mansoni notch 0.0244 0.1539 0.152
Schistosoma mansoni notch 0.0243 0.1537 0.1518
Brugia malayi Fibulin-1 precursor 0.0624 0.4319 0.6984
Brugia malayi Trypsin family protein 0.0278 0.1793 0.2878
Echinococcus granulosus Protein patched homolog 1 0.0084 0.0371 0.035
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0624 0.4319 0.6984
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0559 0.3845 0.3831
Brugia malayi Kringle domain containing protein 0.0877 0.6175 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0101 0.049
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0291 0.1381
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0047 0.0101 0.0319
Brugia malayi MH2 domain containing protein 0.0135 0.0744 0.1173
Echinococcus granulosus neurogenic locus notch protein 0.0243 0.1537 0.1518
Plasmodium falciparum cysteine repeat modular protein 1 0.0877 0.6175 1
Echinococcus granulosus neuroligin 0.0046 0.0096 0.0074
Schistosoma mansoni cell polarity protein 0.0243 0.1537 0.1518
Loa Loa (eye worm) hypothetical protein 0.0046 0.0096 0.0133
Echinococcus multilocularis Tolloid protein 1 0.0624 0.4319 0.4307
Brugia malayi EGF-like domain containing protein 0.0243 0.1537 0.2462
Onchocerca volvulus 0.0084 0.0371 0.0453
Onchocerca volvulus Slit protein homolog 0.0243 0.1537 0.2371
Echinococcus granulosus Niemann Pick C1 protein 0.0196 0.1189 0.1169
Echinococcus granulosus survival motor neuron protein 1 0.0239 0.1504 0.1486
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0063 0.0219 0.0197
Loa Loa (eye worm) hypothetical protein 0.0046 0.0096 0.0133
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0243 0.1537 0.2371
Loa Loa (eye worm) TK/ROR protein kinase 0.0877 0.6175 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0047 0.0101 0.0319
Schistosoma mansoni notch 0.0243 0.1537 0.1518
Loa Loa (eye worm) hypothetical protein 0.0278 0.1793 0.2888
Loa Loa (eye worm) hypothetical protein 0.0073 0.0291 0.0449
Brugia malayi PAN domain containing protein 0.0055 0.0162 0.0227
Schistosoma mansoni cercarial elastase (S01 family) 0.0278 0.1793 0.1775
Entamoeba histolytica acyl-coA synthetase, putative 0.0047 0.0101 0.0678
Echinococcus multilocularis dedicator of cytokinesis protein 0.0062 0.021 0.0188
Loa Loa (eye worm) hypothetical protein 0.0055 0.0162 0.024
Giardia lamblia High cysteine protein 0.0243 0.1537 0.5
Onchocerca volvulus 0.0243 0.1537 0.2371
Loa Loa (eye worm) hypothetical protein 0.0055 0.0162 0.024
Loa Loa (eye worm) PAN domain-containing protein 0.0055 0.0162 0.024
Loa Loa (eye worm) carboxylesterase 0.0046 0.0096 0.0133
Loa Loa (eye worm) hypothetical protein 0.0239 0.1504 0.2419
Onchocerca volvulus 0.0243 0.1537 0.2371
Brugia malayi Latrophilin receptor protein 2 0.0063 0.0219 0.0319
Brugia malayi hypothetical protein 0.0124 0.0662 0.104
Schistosoma mansoni hypothetical protein 0.0049 0.0113 0.0091
Toxoplasma gondii ABC1 family protein 0.0073 0.0291 0.0215
Brugia malayi PAN domain containing protein 0.0055 0.0162 0.0227
Brugia malayi PAN domain containing protein 0.0055 0.0162 0.0227
Echinococcus granulosus GPCR family 2 0.0063 0.0219 0.0197
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0624 0.4319 0.4307
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0291 0.1381
Echinococcus granulosus Niemann Pick C1 protein 0.028 0.1804 0.1786
Loa Loa (eye worm) hypothetical protein 0.0275 0.1765 0.2843
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0559 0.3845 0.3831
Echinococcus multilocularis ankyrin repeat protein 0.017 0.1001 0.0981
Echinococcus multilocularis laminin 0.0624 0.4319 0.4307
Toxoplasma gondii LsmAD domain-containing protein 0.0102 0.0499 0.0562
Echinococcus granulosus slit 2 protein 0.0243 0.1537 0.1518
Loa Loa (eye worm) carboxylesterase 0.0046 0.0096 0.0133
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0101 0.0128
Onchocerca volvulus 0.0055 0.0162 0.0109
Onchocerca volvulus 0.0877 0.6175 1
Echinococcus multilocularis glycoprotein Antigen 5 0.0278 0.1793 0.1775
Echinococcus multilocularis Niemann Pick C1 protein 0.0196 0.1189 0.1169
Loa Loa (eye worm) hypothetical protein 0.0243 0.1537 0.2472
Mycobacterium ulcerans carboxylesterase, LipT 0.0046 0.0096 0.0459
Schistosoma mansoni septate junction protein 0.0255 0.1622 0.1604
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0278 0.1793 0.1775
Loa Loa (eye worm) hypothetical protein 0.0877 0.6175 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0063 0.0219 0.0332
Loa Loa (eye worm) hypothetical protein 0.0243 0.1537 0.2472
Loa Loa (eye worm) hypothetical protein 0.0073 0.0291 0.0449
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0035 0.0014 0.5
Brugia malayi Delta serrate ligand family protein 0.0243 0.1537 0.2462
Schistosoma mansoni neuroligin 3 (S09 family) 0.0046 0.0096 0.0074
Loa Loa (eye worm) hypothetical protein 0.0055 0.0162 0.024
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0101 0.049
Loa Loa (eye worm) hypothetical protein 0.0046 0.0096 0.0133
Brugia malayi EGF-like domain containing protein 0.0243 0.1537 0.2462
Echinococcus multilocularis neurogenic locus protein delta 0.0243 0.1537 0.1518
Brugia malayi hypothetical protein 0.0102 0.0499 0.0776
Loa Loa (eye worm) hypothetical protein 0.0046 0.0096 0.0133
Brugia malayi EGF-like domain containing protein 0.0243 0.1537 0.2462
Loa Loa (eye worm) hypothetical protein 0.0055 0.0162 0.024
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0047 0.0101 0.049
Loa Loa (eye worm) hypothetical protein 0.0243 0.1537 0.2472
Schistosoma mansoni hypothetical protein 0.0243 0.1537 0.1518
Mycobacterium tuberculosis Probable hydrolase 0.0073 0.0291 0.0917
Schistosoma mansoni patched 1 0.0084 0.0371 0.035
Loa Loa (eye worm) hypothetical protein 0.0243 0.1537 0.2472
Echinococcus multilocularis protein jagged 2 0.0243 0.1537 0.1518
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0046 0.009 0.0067
Brugia malayi PAN domain containing protein 0.0055 0.0162 0.0227
Schistosoma mansoni hypothetical protein 0.0137 0.0756 0.0735
Echinococcus multilocularis fibropellin Ia 0.0243 0.1537 0.1518
Loa Loa (eye worm) hypothetical protein 0.0047 0.0101 0.0142
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.0291 0.0269
Leishmania major hypothetical protein, conserved 0.0102 0.0499 0.0677
Loa Loa (eye worm) hypothetical protein 0.0124 0.0662 0.1052
Brugia malayi GCC2 and GCC3 family protein 0.0243 0.1537 0.2462
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0243 0.1537 0.2462
Echinococcus multilocularis sterol regulatory element binding protein 0.0084 0.0371 0.035
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0371 0.1951
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0467 0.3171 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0073 0.0291 0.0917
Echinococcus granulosus Coagulation factor 5 8 type C terminal 0.0074 0.0296 0.0274
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.0101 0.0678
Loa Loa (eye worm) MH2 domain-containing protein 0.0135 0.0744 0.1185
Loa Loa (eye worm) hypothetical protein 0.0559 0.3845 0.6219
Echinococcus granulosus notch 0.0243 0.1537 0.1518
Loa Loa (eye worm) hypothetical protein 0.0073 0.0291 0.0449
Brugia malayi PAN domain containing protein 0.0055 0.0162 0.0227
Brugia malayi beta-lactamase family protein 0.0073 0.0291 0.0436
Echinococcus granulosus carboxylesterase 5A 0.0275 0.1765 0.1747
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0047 0.0101 0.049
Schistosoma mansoni cercarial elastase (S01 family) 0.0278 0.1793 0.1775
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0101 0.0023
Echinococcus granulosus acetylcholinesterase 0.0275 0.1765 0.1747
Brugia malayi Calcium binding EGF domain containing protein 0.0243 0.1537 0.2462
Onchocerca volvulus 0.0278 0.1793 0.2792
Loa Loa (eye worm) hypothetical protein 0.0073 0.0291 0.0449
Mycobacterium tuberculosis Probable lipase LipE 0.0073 0.0291 0.0917
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0046 0.0096 0.0302
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0101 0.0128
Echinococcus granulosus neurogenic locus protein delta 0.0243 0.1537 0.1518
Echinococcus granulosus beta LACTamase domain containing family member 0.0073 0.0291 0.0269
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0063 0.0219 0.0197
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0101 0.049
Onchocerca volvulus 0.0055 0.0162 0.0109
Schistosoma mansoni hypothetical protein 0.0877 0.6175 0.6166
Loa Loa (eye worm) PAN domain-containing protein 0.0055 0.0162 0.024
Schistosoma mansoni egf-like domain protein 0.0624 0.4319 0.4307
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0046 0.009 0.0067
Loa Loa (eye worm) hypothetical protein 0.0137 0.0756 0.1204
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0291 0.0334

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 7.1 Displacement of [3H]prazosin from human cloned alpha1B adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter ChEMBL. 23124215
Ki (binding) = 7.78 Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter ChEMBL. 23124215
Ki (binding) = 7.78 Displacement of [3H]prazosin from human cloned alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter ChEMBL. 23124215
Ki (binding) = 7.89 Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampal membranes after 30 mins by liquid scintillation counting ChEMBL. 23124215

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

1 literature reference was collected for this gene.

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