Detailed information for compound 410972

Basic information

Technical information
  • TDR Targets ID: 410972
  • Name: [(4S)-4-amino-5-[4-[4-[[2,4-dichloro-3-[(2,4- dimethylquinolin-8-yl)oxymethyl]phenyl]sulfon ylamino]piperidine-4-carbonyl]piperazin-1-yl] -5-oxopentyl]-trimethylazanium
  • MW: 763.797 | Formula: C36H50Cl2N7O5S+
  • H donors: 3 H acceptors: 5 LogP: 3.25 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cc1cc(C)c2c(n1)c(ccc2)OCc1c(Cl)ccc(c1Cl)S(=O)(=O)NC1(CCNCC1)C(=O)N1CCN(CC1)C(=O)[C@H](CCC[N+](C)(C)C)N
  • InChi: 1S/C36H50Cl2N7O5S/c1-24-22-25(2)41-33-26(24)8-6-10-30(33)50-23-27-28(37)11-12-31(32(27)38)51(48,49)42-36(13-15-40-16-14-36)35(47)44-19-17-43(18-20-44)34(46)29(39)9-7-21-45(3,4)5/h6,8,10-12,22,29,40,42H,7,9,13-21,23,39H2,1-5H3/q+1/t29-/m0/s1
  • InChiKey: MEPUHSNMRSGIAZ-LJAQVGFWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(4S)-4-amino-5-[4-[4-[[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylamino]piperidine-4-carbonyl]piperazin-1-yl]-5-oxo-pentyl]-trimethyl-ammonium
  • [(4S)-4-amino-5-[4-[[4-[[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylamino]-4-piperidinyl]-oxomethyl]-1-piperazinyl]-5-oxopentyl]-trimethylammonium
  • [(4S)-4-azanyl-5-[4-[4-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]piperidin-4-yl]carbonylpiperazin-1-yl]-5-oxo-pentyl]-trimethyl-azanium
  • [(4S)-4-amino-5-[4-[4-[[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylamino]isonipecotoyl]piperazino]-5-keto-pentyl]-trimethyl-ammonium
  • [(4S)-4-amino-5-[4-[4-[[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylamino]piperidine-4-carbonyl]piperazin-1-yl]-5-keto-pentyl]-trimethyl-ammonium
  • [(4S)-4-amino-5-[4-[4-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]piperidin-4-yl]carbonylpiperazin-1-yl]-5-oxo-pentyl]-trimethyl-azanium

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bradykinin receptor B2 Starlite/ChEMBL References
Homo sapiens bradykinin receptor B1 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
Echinococcus granulosus pyroglutamylated rfamide peptide receptor bradykinin receptor B2 391 aa 354 aa 19.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0055 0.2132 0.5
Brugia malayi Dopamine receptor protein 2 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0055 0.2132 0.5
Schistosoma mansoni myosin xvIII 0.0055 0.2132 0.5
Schistosoma mansoni neuropeptide receptor 0.0055 0.2132 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0055 0.2132 0.5
Echinococcus multilocularis serotonin receptor 0.0055 0.2132 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0055 0.2132 0.5
Brugia malayi putative neuropeptide receptor 0.0055 0.2132 0.5
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0055 0.2132 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0055 0.2132 0.5
Brugia malayi hypothetical protein 0.0055 0.2132 0.5
Brugia malayi follicle stimulating hormone receptor 0.0055 0.2132 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Echinococcus multilocularis allatostatin A receptor 0.0055 0.2132 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Onchocerca volvulus 0.0055 0.2132 1
Echinococcus multilocularis neuropeptides capa receptor 0.0055 0.2132 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0055 0.2132 0.5
Brugia malayi hypothetical protein 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Mycobacterium tuberculosis Probable phosphoribosylformylglycinamidine CYCLO-ligase PurM (AIRS) (phosphoribosyl-aminoimidazole synthetase) (air synthase) 0.0035 0.0545 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0055 0.2132 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0055 0.2132 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0055 0.2132 0.5
Echinococcus granulosus g protein coupled receptor 0.0055 0.2132 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.0055 0.2132 0.5
Brugia malayi G protein-coupled receptor F59B2.13 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Brugia malayi G-protein coupled receptor 0.0055 0.2132 0.5
Brugia malayi AKH receptor 0.0055 0.2132 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0.2132 0.5
Echinococcus granulosus neuropeptide receptor 0.0055 0.2132 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0055 0.2132 0.5
Schistosoma mansoni hypothetical protein 0.0055 0.2132 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0055 0.2132 0.5
Schistosoma mansoni histamine h1 receptor 0.0055 0.2132 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0.2132 0.5
Loa Loa (eye worm) melatonin receptor type 1A 0.0055 0.2132 0.5
Echinococcus multilocularis g protein coupled receptor 0.0055 0.2132 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0055 0.2132 0.5
Brugia malayi G-protein coupled receptor 0.0055 0.2132 0.5
Echinococcus granulosus fmrfamide receptor 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0055 0.2132 0.5
Schistosoma mansoni opsin-like receptor 0.0055 0.2132 0.5
Echinococcus multilocularis neuropeptide receptor 0.0055 0.2132 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0055 0.2132 0.5
Onchocerca volvulus 0.0055 0.2132 1
Echinococcus granulosus neuropeptides capa receptor 0.0055 0.2132 0.5
Echinococcus granulosus allatostatin A receptor 0.0055 0.2132 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0055 0.2132 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0055 0.2132 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0055 0.2132 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0055 0.2132 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0055 0.2132 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0055 0.2132 0.5
Brugia malayi putative neuropeptide receptor NPR1 0.0055 0.2132 0.5
Brugia malayi RE15519p 0.0055 0.2132 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0055 0.2132 0.5
Onchocerca volvulus 0.0055 0.2132 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0055 0.2132 0.5
Wolbachia endosymbiont of Brugia malayi phosphoribosylamine--glycine ligase 0.0157 1 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0055 0.2132 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0055 0.2132 0.5
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0055 0.2132 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0.2132 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0055 0.2132 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.0055 0.2132 0.5
Brugia malayi Dopamine receptor protein 1 0.0055 0.2132 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0055 0.2132 1
Echinococcus granulosus hypothetical protein 0.0055 0.2132 0.5
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0055 0.2132 0.5
Echinococcus multilocularis neuropeptide receptor 0.0055 0.2132 0.5
Echinococcus multilocularis sex peptide receptor 0.0055 0.2132 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0.2132 0.5
Schistosoma mansoni amine GPCR 0.0055 0.2132 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0055 0.2132 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0.2132 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0055 0.2132 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0055 0.2132 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0055 0.2132 0.5
Echinococcus multilocularis serotonin receptor 0.0055 0.2132 0.5
Schistosoma mansoni amine GPCR 0.0055 0.2132 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0.2132 0.5
Onchocerca volvulus 0.0055 0.2132 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0055 0.2132 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0055 0.2132 0.5
Brugia malayi hypothetical protein 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Onchocerca volvulus 0.0055 0.2132 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0055 0.2132 0.5
Onchocerca volvulus 0.0055 0.2132 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0.2132 0.5
Echinococcus granulosus orexin receptor type 2 0.0055 0.2132 0.5
Brugia malayi hypothetical protein 0.0055 0.2132 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0055 0.2132 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0.2132 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0055 0.2132 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0055 0.2132 0.5
Brugia malayi G protein-coupled receptor 0.0055 0.2132 0.5
Brugia malayi hypothetical protein 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0055 0.2132 0.5
Brugia malayi sulfakinin receptor protein 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Onchocerca volvulus 0.0055 0.2132 1
Echinococcus granulosus g protein coupled receptor 0.0055 0.2132 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0055 0.2132 0.5
Brugia malayi hypothetical protein 0.0055 0.2132 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0055 0.2132 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0055 0.2132 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0.2132 0.5
Schistosoma mansoni amine GPCR 0.0055 0.2132 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0055 0.2132 0.5
Loa Loa (eye worm) TYRA-2 protein 0.0055 0.2132 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.0055 0.2132 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0055 0.2132 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.0055 0.2132 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0055 0.2132 0.5
Brugia malayi Melatonin receptor type 1A 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0055 0.2132 0.5
Onchocerca volvulus 0.0055 0.2132 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0.2132 0.5
Onchocerca volvulus 0.0055 0.2132 1
Schistosoma mansoni hypothetical protein 0.0055 0.2132 0.5
Onchocerca volvulus 0.0055 0.2132 1
Echinococcus granulosus neuropeptide receptor 0.0055 0.2132 0.5
Echinococcus multilocularis g protein coupled receptor 0.0055 0.2132 0.5
Onchocerca volvulus 0.0055 0.2132 1
Onchocerca volvulus 0.0055 0.2132 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0055 0.2132 0.5
Onchocerca volvulus 0.0055 0.2132 1
Schistosoma mansoni neuropeptide receptor 0.0055 0.2132 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0055 0.2132 0.5
Brugia malayi Dopamine receptor 0.0055 0.2132 0.5
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0055 0.2132 0.5
Echinococcus multilocularis orexin receptor type 2 0.0055 0.2132 0.5
Schistosoma mansoni hypothetical protein 0.0055 0.2132 0.5
Onchocerca volvulus 0.0055 0.2132 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0055 0.2132 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0.2132 0.5
Schistosoma mansoni opsin-like receptor 0.0055 0.2132 0.5
Brugia malayi neuropeptide F receptor 0.0055 0.2132 0.5
Brugia malayi Serotonin receptor 0.0055 0.2132 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0055 0.2132 0.5
Schistosoma mansoni opsin-like receptor 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0055 0.2132 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0055 0.2132 0.5
Echinococcus granulosus neuropeptide s receptor 0.0055 0.2132 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Brugia malayi GnHR receptor homolog 0.0055 0.2132 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0055 0.2132 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0055 0.2132 0.5
Echinococcus multilocularis fmrfamide receptor 0.0055 0.2132 0.5
Schistosoma mansoni amine GPCR 0.0055 0.2132 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0055 0.2132 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0055 0.2132 0.5
Schistosoma mansoni biogenic amine receptor 0.0055 0.2132 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0055 0.2132 1
Echinococcus granulosus neuropeptide receptor A26 0.0055 0.2132 0.5
Echinococcus granulosus somatostatin receptor 0.0055 0.2132 0.5
Schistosoma mansoni biogenic amine receptor 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0055 0.2132 0.5
Brugia malayi hypothetical protein 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Onchocerca volvulus 0.0055 0.2132 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0055 0.2132 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Brugia malayi hypothetical protein 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0.2132 0.5
Echinococcus granulosus g protein coupled receptor 0.0055 0.2132 0.5
Brugia malayi Serotonin receptor 0.0055 0.2132 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0055 0.2132 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0055 0.2132 0.5
Echinococcus multilocularis somatostatin receptor 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Brugia malayi hypothetical protein 0.0055 0.2132 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0055 0.2132 0.5
Brugia malayi larval opioid receptor 0.0055 0.2132 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Onchocerca volvulus 0.0055 0.2132 1
Schistosoma mansoni neuropeptide receptor 0.0055 0.2132 0.5
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Echinococcus multilocularis fmrfamide receptor 0.0055 0.2132 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0055 0.2132 0.5
Mycobacterium ulcerans phosphoribosylamine--glycine ligase 0.0157 1 1
Schistosoma mansoni amine GPCR 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0055 0.2132 0.5
Schistosoma mansoni growth hormone secretagogue receptor 0.0055 0.2132 0.5
Echinococcus granulosus g-protein coupled receptor 0.0055 0.2132 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.2132 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0055 0.2132 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0055 0.2132 0.5
Brugia malayi neuropeptide F receptor 0.0055 0.2132 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0055 0.2132 0.5
Echinococcus granulosus sex peptide receptor 0.0055 0.2132 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0.2132 0.5
Echinococcus granulosus serotonin receptor 0.0055 0.2132 0.5
Schistosoma mansoni adenoreceptor 0.0055 0.2132 0.5
Schistosoma mansoni neuropeptide receptor 0.0055 0.2132 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0.2132 0.5
Brugia malayi ORL1-like opioid receptor 0.0055 0.2132 0.5
Echinococcus multilocularis g protein coupled receptor 0.0055 0.2132 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0055 0.2132 0.5
Schistosoma mansoni hypothetical protein 0.0055 0.2132 0.5
Onchocerca volvulus 0.0055 0.2132 1
Onchocerca volvulus 0.0035 0.0545 0.2554
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0.2132 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0055 0.2132 0.5
Brugia malayi hypothetical protein 0.0055 0.2132 0.5
Schistosoma mansoni biogenic amine receptor 0.0055 0.2132 0.5

Activities

Activity type Activity value Assay description Source Reference
Kd (functional) = 8.8 Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cells ChEMBL. 17266207
Ki (binding) = -9.3 Displacement of [3H]BK from human bradykinin B2 receptor transfected in CHO cells ChEMBL. 17266207
Ki (binding) < -5 Binding affinity to human bradykinin B1 receptor ChEMBL. 17266207
Log Ki (binding) < 5 Binding affinity to human bradykinin B1 receptor ChEMBL. 17266207
Log Ki (binding) = 9.3 Displacement of [3H]BK from human bradykinin B2 receptor transfected in CHO cells ChEMBL. 17266207
pA2 (functional) = 8.8 Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cells ChEMBL. 17266207

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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