Detailed information for compound 62915

Basic information

Technical information
  • TDR Targets ID: 62915
  • Name: N'-(1H-pyrrol-2-ylmethyl)-N-[2-[2-[6-(1H-pyrr ol-2-ylmethylamino)hexylamino]ethyldisulfanyl ]ethyl]hexane-1,6-diamine
  • MW: 508.83 | Formula: C26H48N6S2
  • H donors: 6 H acceptors: 0 LogP: 2.69 Rotable bonds: 25
    Rule of 5 violations (Lipinski): 3
  • SMILES: C(NCCSSCCNCCCCCCNCc1ccc[nH]1)CCCCCNCc1ccc[nH]1
  • InChi: 1S/C26H48N6S2/c1(3-7-15-29-23-25-11-9-17-31-25)5-13-27-19-21-33-34-22-20-28-14-6-2-4-8-16-30-24-26-12-10-18-32-26/h9-12,17-18,27-32H,1-8,13-16,19-24H2
  • InChiKey: SOBOYIJMKCWCMZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1H-pyrrol-2-ylmethyl-[6-[2-[2-[6-(1H-pyrrol-2-ylmethylamino)hexylamino]ethyldisulfanyl]ethylamino]hexyl]amine
  • pyrextramine
  • 6-(1H-pyrrol-2-ylmethylamino)hexyl-[2-[2-[6-(1H-pyrrol-2-ylmethylamino)hexylamino]ethyldisulfanyl]ethyl]amine
  • 92588-09-5
  • 1,6-Hexanediamine, N,N''-(dithiodi-2,1-ethanediyl)bis(N'-(1H-pyrrol-2-ylmethyl)-
  • N,N''-(Dithio-2,1-ethanediyl)bis(N'-(pyrrol-2-ylmethyl)-1,6-hexanediamine)

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Adrenergic receptor alpha Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Adrenergic receptor alpha   515 aa 429 aa 20.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0101 0.034 1
Brugia malayi Dopamine receptor protein 1 0.0101 0.034 0.0157
Echinococcus multilocularis rhodopsin orphan GPCR 0.0101 0.034 0.034
Brugia malayi Serotonin receptor 0.0101 0.034 0.0157
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0101 0.034 0.0126
Schistosoma mansoni neuropeptide F-like receptor 0.0101 0.034 0.0126
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0101 0.034 0.0126
Loa Loa (eye worm) TYRA-2 protein 0.0101 0.034 0.0157
Schistosoma mansoni biogenic amine receptor 0.0101 0.034 0.0126
Schistosoma mansoni biogenic amine receptor 0.0101 0.034 0.0126
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Onchocerca volvulus 0.0101 0.034 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Brugia malayi sulfakinin receptor protein 0.0101 0.034 0.0157
Echinococcus granulosus rhodopsin orphan GPCR 0.0101 0.034 0.034
Echinococcus multilocularis rhodopsin orphan GPCR 0.0101 0.034 0.034
Schistosoma mansoni dopamine-beta-monooxygenase 0.0252 0.3469 0.3324
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Echinococcus granulosus rhodopsin orphan GPCR 0.0101 0.034 0.034
Schistosoma mansoni neuropeptide receptor 0.0101 0.034 0.0126
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0101 0.034 0.0126
Brugia malayi G protein-coupled receptor F59B2.13 0.0101 0.034 0.0157
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0474 0.8086 0.8086
Loa Loa (eye worm) neuropeptide F receptor 0.0101 0.034 0.0157
Brugia malayi AKH receptor 0.0101 0.034 0.0157
Echinococcus granulosus 7tm_1 domain containing protein 0.0101 0.034 0.034
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0101 0.034 0.0126
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0101 0.034 0.034
Echinococcus multilocularis dro:myosuppressin receptor 0.0101 0.034 0.034
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0101 0.034 0.0126
Echinococcus multilocularis g protein coupled receptor 0.0101 0.034 0.034
Brugia malayi Dopamine receptor 0.0101 0.034 0.0157
Schistosoma mansoni neuropeptide receptor 0.0101 0.034 0.0126
Echinococcus granulosus neuropeptide s receptor 0.0101 0.034 0.034
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0101 0.034 0.034
Onchocerca volvulus 0.0101 0.034 1
Brugia malayi G-protein coupled receptor 0.0101 0.034 0.0157
Onchocerca volvulus Neuropeptide F receptor homolog 0.0101 0.034 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0101 0.034 0.0126
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0101 0.034 0.0126
Brugia malayi putative neuropeptide receptor NPR1 0.0101 0.034 0.0157
Brugia malayi hypothetical protein 0.0101 0.034 0.0157
Brugia malayi neuropeptide F receptor 0.0101 0.034 0.0157
Echinococcus granulosus g protein coupled receptor 0.0101 0.034 0.034
Echinococcus granulosus alpha 1A adrenergic receptor 0.0101 0.034 0.034
Echinococcus multilocularis fmrfamide receptor 0.0101 0.034 0.034
Brugia malayi G protein-coupled receptor 0.0101 0.034 0.0157
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Echinococcus multilocularis neuropeptide receptor 0.0101 0.034 0.034
Echinococcus multilocularis neuropeptide receptor A26 0.0101 0.034 0.034
Echinococcus granulosus tm gpcr rhodopsin 0.0101 0.034 0.034
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0101 0.034 0.0126
Echinococcus multilocularis neuropeptide FF receptor 2 0.0101 0.034 0.034
Schistosoma mansoni amine GPCR 0.0101 0.034 0.0126
Schistosoma mansoni hypothetical protein 0.0101 0.034 0.0126
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0101 0.034 0.0126
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0101 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Loa Loa (eye worm) G-protein coupled receptor 0.0101 0.034 0.0157
Schistosoma mansoni amine GPCR 0.0101 0.034 0.0126
Schistosoma mansoni hypothetical protein 0.0101 0.034 0.0126
Echinococcus multilocularis allatostatin A receptor 0.0101 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Loa Loa (eye worm) hypothetical protein 0.0252 0.3469 0.4133
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Echinococcus multilocularis neuropeptides capa receptor 0.0101 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Onchocerca volvulus 0.0101 0.034 1
Onchocerca volvulus 0.0101 0.034 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0101 0.034 0.034
Echinococcus granulosus allatostatin A receptor 0.0101 0.034 0.034
Loa Loa (eye worm) neuropeptide F receptor 0.0101 0.034 0.0157
Brugia malayi GnHR receptor homolog 0.0101 0.034 0.0157
Echinococcus granulosus tm gpcr rhodopsin 0.0101 0.034 0.034
Echinococcus granulosus neuropeptides capa receptor 0.0101 0.034 0.034
Echinococcus granulosus 7TM GPCR rhodopsin 0.0101 0.034 0.034
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0101 0.034 0.0126
Echinococcus granulosus biogenic amine 5HT receptor 0.0101 0.034 0.034
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0101 0.034 0.0126
Echinococcus multilocularis orexin receptor type 2 0.0101 0.034 0.034
Schistosoma mansoni amine GPCR 0.0101 0.034 0.0126
Echinococcus granulosus rhodopsin orphan GPCR 0.0101 0.034 0.034
Schistosoma mansoni adenoreceptor 0.0101 0.034 0.0126
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Echinococcus multilocularis fmrfamide receptor 0.0101 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0101 0.034 0.034
Schistosoma mansoni neuropeptide F-like receptor 0.0101 0.034 0.0126
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Schistosoma mansoni histamine h1 receptor 0.0101 0.034 0.0126
Schistosoma mansoni biogenic amine (5HT) receptor 0.0101 0.034 0.0126
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Echinococcus multilocularis rhodopsin orphan GPCR 0.0101 0.034 0.034
Schistosoma mansoni growth hormone secretagogue receptor 0.0101 0.034 0.0126
Loa Loa (eye worm) melatonin receptor type 1A 0.0101 0.034 0.0157
Schistosoma mansoni hypothetical protein 0.0101 0.034 0.0126
Brugia malayi hypothetical protein 0.0101 0.034 0.0157
Echinococcus granulosus integrin beta 2 0.0229 0.3004 0.3004
Brugia malayi Serotonin receptor 0.0101 0.034 0.0157
Brugia malayi RE15519p 0.0101 0.034 0.0157
Schistosoma mansoni amine GPCR 0.0101 0.034 0.0126
Schistosoma mansoni biogenic amine (5HT) receptor 0.0101 0.034 0.0126
Echinococcus granulosus G protein coupled receptor 139 0.0101 0.034 0.034
Schistosoma mansoni neuropeptide receptor 0.0101 0.034 0.0126
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Trypanosoma cruzi hypothetical protein, conserved 0.0219 0.2779 0.5
Onchocerca volvulus 0.0101 0.034 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Brugia malayi hypothetical protein 0.0101 0.034 0.0157
Onchocerca volvulus 0.0101 0.034 1
Onchocerca volvulus 0.0101 0.034 1
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0124 0.0815 0.076
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0101 0.034 0.0157
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Echinococcus multilocularis g protein coupled receptor 0.0101 0.034 0.034
Schistosoma mansoni alpha-1 adrenergic receptor 0.0101 0.034 0.0126
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0101 0.034 0.0157
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Echinococcus multilocularis somatostatin receptor 0.0101 0.034 0.034
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0101 0.034 0.0126
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0101 0.034 0.034
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0101 0.034 0.034
Brugia malayi Integrin beta pat-3 precursor 0.031 0.4671 0.5661
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0474 0.8086 1
Echinococcus granulosus g protein coupled receptor 0.0101 0.034 0.034
Echinococcus granulosus fmrfamide receptor 0.0101 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0474 0.8086 1
Onchocerca volvulus 0.0101 0.034 1
Brugia malayi larval opioid receptor 0.0101 0.034 0.0157
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0101 0.034 0.034
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0101 0.034 0.0126
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0101 0.034 0.034
Echinococcus multilocularis g-protein coupled receptor 0.0101 0.034 0.034
Echinococcus multilocularis sex peptide receptor 0.0101 0.034 0.034
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0252 0.3469 0.4133
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0101 0.034 0.034
Echinococcus granulosus neuropeptide Y receptor 0.0101 0.034 0.034
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0101 0.034 0.0126
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0101 0.034 0.0157
Loa Loa (eye worm) G-protein coupled receptor 0.0101 0.034 0.0157
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Echinococcus multilocularis receptor type guanylyl cyclase 0.0095 0.0217 0.0217
Brugia malayi hypothetical protein 0.0101 0.034 0.0157
Echinococcus multilocularis G protein coupled receptor 139 0.0566 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Onchocerca volvulus 0.0101 0.034 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0101 0.034 0.034
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0101 0.034 0.034
Echinococcus granulosus tm gpcr rhodopsin 0.0101 0.034 0.034
Brugia malayi neuropeptide F receptor 0.0101 0.034 0.0157
Onchocerca volvulus 0.0101 0.034 1
Echinococcus multilocularis g protein coupled receptor 0.0101 0.034 0.034
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0101 0.034 0.034
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0101 0.034 0.0126
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Echinococcus granulosus g protein coupled receptor 0.0101 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0101 0.034 0.0157
Echinococcus multilocularis neuropeptide Y receptor 0.0101 0.034 0.034
Trypanosoma cruzi hypothetical protein, conserved 0.0219 0.2779 0.5
Onchocerca volvulus 0.0101 0.034 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0101 0.034 0.0126
Onchocerca volvulus 0.0101 0.034 1
Echinococcus multilocularis integrin beta 2 0.0229 0.3004 0.3004
Echinococcus multilocularis rhodopsin orphan GPCR 0.0101 0.034 0.034
Onchocerca volvulus 0.0101 0.034 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0101 0.034 0.034
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0474 0.8086 0.8043
Brugia malayi hypothetical protein 0.0101 0.034 0.0157
Echinococcus granulosus tachykinin peptides receptor 99D 0.0101 0.034 0.034
Schistosoma mansoni neuropeptide f receptor 76f 0.0101 0.034 0.0126
Echinococcus granulosus hypothetical protein 0.0101 0.034 0.034
Schistosoma mansoni peptidylglycine monooxygenase 0.0252 0.3469 0.3324
Echinococcus granulosus receptor type guanylyl cyclase 0.0095 0.0217 0.0217
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0101 0.034 0.0126
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Schistosoma mansoni neuropeptide receptor 0.0566 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Brugia malayi ORL1-like opioid receptor 0.0101 0.034 0.0157
Brugia malayi hypothetical protein 0.0101 0.034 0.0157
Echinococcus multilocularis serotonin receptor 0.0101 0.034 0.034
Brugia malayi putative neuropeptide receptor 0.0101 0.034 0.0157
Brugia malayi hypothetical protein 0.0101 0.034 0.0157
Echinococcus granulosus biogenic amine 5HT receptor 0.0101 0.034 0.034
Echinococcus granulosus rhodopsin orphan GPCR 0.0101 0.034 0.034
Echinococcus granulosus neuropeptides capa receptor 0.0101 0.034 0.034
Brugia malayi hypothetical protein 0.0101 0.034 0.0157
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0101 0.034 0.0157
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0101 0.034 1
Schistosoma mansoni integrin beta subunit 0.0182 0.2027 0.185
Echinococcus multilocularis G-protein coupled receptor, putative 0.0101 0.034 0.034
Brugia malayi Melatonin receptor type 1A 0.0101 0.034 0.0157
Onchocerca volvulus 0.0101 0.034 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0101 0.034 0.0157
Echinococcus multilocularis rhodopsin orphan GPCR 0.0101 0.034 0.034
Echinococcus multilocularis rhodopsin orphan GPCR 0.0101 0.034 0.034
Entamoeba histolytica hypothetical protein 0.0219 0.2779 0.5
Loa Loa (eye worm) integrin beta-2 0.031 0.4671 0.5661
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Schistosoma mansoni biogenic amine receptor 0.0101 0.034 0.0126
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0101 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Echinococcus granulosus rhodopsin orphan GPCR 0.0101 0.034 0.034
Echinococcus granulosus dro:myosuppressin receptor 0.0101 0.034 0.034
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0101 0.034 0.0126
Echinococcus granulosus neuropeptide receptor 0.0101 0.034 0.034
Schistosoma mansoni opsin-like receptor 0.0101 0.034 0.0126
Echinococcus multilocularis rhodopsin orphan GPCR 0.0101 0.034 0.034
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0128 0.0893 0.086
Schistosoma mansoni myosin xvIII 0.0101 0.034 0.0126
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Echinococcus granulosus neuropeptide Y receptor 0.0101 0.034 0.034
Schistosoma mansoni opsin-like receptor 0.0101 0.034 0.0126
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0101 0.034 0.0157
Schistosoma mansoni hypothetical protein 0.0101 0.034 0.0126
Echinococcus granulosus rhodopsin orphan GPCR 0.0101 0.034 0.034
Brugia malayi hypothetical protein 0.0101 0.034 0.0157
Echinococcus multilocularis neuropeptides capa receptor 0.0101 0.034 0.034
Brugia malayi follicle stimulating hormone receptor 0.0101 0.034 0.0157
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0101 0.034 0.034
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0101 0.034 0.0157
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0474 0.8086 0.8086
Echinococcus multilocularis neuropeptide Y receptor 0.0101 0.034 0.034
Echinococcus granulosus serotonin receptor 0.0101 0.034 0.034
Echinococcus granulosus sex peptide receptor 0.0101 0.034 0.034
Echinococcus granulosus g-protein coupled receptor 0.0101 0.034 0.034
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0101 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Echinococcus multilocularis rhodopsin orphan GPCR 0.0101 0.034 0.034
Echinococcus granulosus peptide allatostatin:somatostatin 0.0101 0.034 0.034
Schistosoma mansoni opsin-like receptor 0.0101 0.034 0.0126
Brugia malayi hypothetical protein 0.0101 0.034 0.0157
Echinococcus granulosus somatostatin receptor 0.0101 0.034 0.034
Onchocerca volvulus 0.0101 0.034 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0101 0.034 0.0157
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0101 0.034 0.0126
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0101 0.034 0.034
Onchocerca volvulus 0.0101 0.034 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0101 0.034 0.034
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0101 0.034 0.0126
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0101 0.034 0.0126
Echinococcus granulosus neuropeptide FF receptor 2 0.0101 0.034 0.034
Echinococcus granulosus neuropeptide receptor A26 0.0101 0.034 0.034
Schistosoma mansoni amine GPCR 0.0101 0.034 0.0126
Echinococcus multilocularis neuropeptide s receptor 0.0101 0.034 0.034
Brugia malayi Dopamine receptor protein 2 0.0101 0.034 0.0157
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Echinococcus multilocularis neuropeptide receptor 0.0566 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0101 0.034 0.034
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0101 0.034 0.0126
Loa Loa (eye worm) hypothetical protein 0.0101 0.034 0.0157
Echinococcus multilocularis serotonin receptor 0.0101 0.034 0.034
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0101 0.034 0.034
Brugia malayi G-protein coupled receptor 0.0101 0.034 0.0157
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0101 0.034 0.0157
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0101 0.034 0.0157
Echinococcus granulosus orexin receptor type 2 0.0101 0.034 0.034

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 100 % Antagonistic blocking activity at alpha adrenergic receptor by NE induced contractions of the epididymal portion of isolated rat vas deferens at the dose of 20 microM ChEMBL. 2999398
Activity (functional) = 100 % Antagonistic blocking activity at alpha adrenergic receptor by NE induced contractions of the epididymal portion of isolated rat vas deferens at the dose of 20 microM ChEMBL. 2999398
IC50 (binding) = 0.9 uM Inhibitory activity against alpha adrenergic receptor ChEMBL. 2999398
IC50 (binding) = 0.9 uM Inhibitory activity against alpha adrenergic receptor ChEMBL. 2999398
Kb (functional) = 5.25 uM Antimuscarinic activity against carbachol induced response in rat jejunum ChEMBL. 2999398
Kb (functional) = 6.01 uM Antimuscarinic activity against carbachol induced response in rat jejunum after 30 min of washing ChEMBL. 2999398
Kb (functional) = 12.66 uM Antimuscarinic activity against carbachol induced response in rat jejunum before 30 min of washing ChEMBL. 2999398

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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