Detailed information for compound 1748783

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1469.3 | Formula: C56H85NaO41S
  • H donors: 24 H acceptors: 25 LogP: -14.81 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 4
  • SMILES: OCC1O[C@@H]2O[C@@H]3C(CO)O[C@@H](C(C3O)O)O[C@@H]3C(CO)O[C@@H](C(C3O)O)O[C@@H]3C(CO)O[C@@H](C(C3O)O)O[C@@H]3C(O[C@H](O[C@@H]4C(O[C@H](O[C@@H]5C(O[C@H](O[C@@H]6C(O[C@H](O[C@H]1C(C2O)O)C(O)C6O)CSc1cccc(c1)CC(=O)[O-])C(O)C5O)CO)C(O)C4O)CO)C(C3O)O)CO.[Na+]
  • InChi: 1S/C56H86O41S.Na/c57-6-16-41-25(66)33(74)49(82-16)91-42-17(7-58)84-51(35(76)27(42)68)93-44-19(9-60)86-53(37(78)29(44)70)95-46-21(11-62)88-55(39(80)31(46)72)97-48-23(13-98-15-3-1-2-14(4-15)5-24(64)65)89-56(40(81)32(48)73)96-47-22(12-63)87-54(38(79)30(47)71)94-45-20(10-61)85-52(36(77)28(45)69)92-43-18(8-59)83-50(90-41)34(75)26(43)67;/h1-4,16-23,25-63,66-81H,5-13H2,(H,64,65);/q;+1/p-1/t16?,17?,18?,19?,20?,21?,22?,23?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-;/m1./s1
  • InChiKey: QECLJPAMPBANPN-KHOKHGHBSA-M  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0079 0.0415 0.0358
Echinococcus granulosus neuropeptides capa receptor 0.0079 0.0415 0.0414
Echinococcus multilocularis G protein coupled receptor 139 0.0079 0.0415 0.0414
Schistosoma mansoni hypothetical protein 0.0079 0.0415 0.0358
Echinococcus granulosus 7tm_1 domain containing protein 0.0079 0.0415 0.0414
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0079 0.0415 0.0358
Schistosoma mansoni growth hormone secretagogue receptor 0.0079 0.0415 0.0358
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0362 0.2107 0.5
Brugia malayi Receptor family ligand binding region containing protein 0.0072 0.0378 0.4792
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0072 0.0378 0.0378
Brugia malayi Glutamate receptor 2 precursor 0.0141 0.0789 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0041 0.0189 0.0188
Schistosoma mansoni metabotropic glutamate receptor 0.0072 0.0378 0.0313
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 0.0415 0.0358
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0079 0.0415 0.0358
Onchocerca volvulus 0.0079 0.0415 1
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0362 0.2107 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0079 0.0415 0.0358
Echinococcus multilocularis Polycystic kidney disease protein 0.0041 0.0189 0.0188
Onchocerca volvulus 0.0041 0.0189 0.2265
Brugia malayi sulfakinin receptor protein 0.0079 0.0415 0.5255
Brugia malayi ORL1-like opioid receptor 0.0079 0.0415 0.5255
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0079 0.0415 0.0358
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0001 0.001
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0079 0.0415 0.0414
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Echinococcus multilocularis nmda type glutamate receptor 0.1686 1 1
Echinococcus granulosus fmrfamide receptor 0.0079 0.0415 0.0414
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 0.0415 0.0358
Echinococcus multilocularis glutamate receptor 2 0.0141 0.0789 0.0789
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 0.0415 0.0414
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0079 0.0415 0.0414
Echinococcus granulosus dro:myosuppressin receptor 0.0079 0.0415 0.0414
Schistosoma mansoni glutamate receptor AMPA 0.0141 0.0789 0.0818
Echinococcus granulosus Polycystic kidney disease protein 0.0041 0.0189 0.0188
Brugia malayi Cytochrome P450 family protein 0.0013 0.0022 0.0276
Loa Loa (eye worm) neuropeptide F receptor 0.0079 0.0415 0.5255
Echinococcus granulosus neuropeptides capa receptor 0.0079 0.0415 0.0414
Echinococcus granulosus metabotropic glutamate receptor 5 0.0072 0.0378 0.0378
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0022 0.0277
Schistosoma mansoni glutamate receptor kainate 0.0141 0.0789 0.0818
Onchocerca volvulus 0.0079 0.0415 1
Schistosoma mansoni cpg binding protein 0.0031 0.0133 0.0012
Brugia malayi hypothetical protein 0.0079 0.0415 0.5255
Brugia malayi Receptor family ligand binding region containing protein 0.0072 0.0378 0.4792
Brugia malayi putative neuropeptide receptor NPR1 0.0079 0.0415 0.5255
Schistosoma mansoni hypothetical protein 0.0079 0.0415 0.0358
Schistosoma mansoni glutamate receptor NMDA 0.0141 0.0789 0.0818
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0079 0.0415 0.0414
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 0.0415 0.0414
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0072 0.0378 0.4793
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0079 0.0415 0.0358
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0079 0.0415 0.0358
Echinococcus multilocularis serotonin receptor 0.0079 0.0415 0.0414
Schistosoma mansoni neuropeptide receptor 0.0079 0.0415 0.0358
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0079 0.0415 0.5255
Onchocerca volvulus 0.0079 0.0415 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0214 0.1221 0.1221
Brugia malayi GnHR receptor homolog 0.0079 0.0415 0.5255
Echinococcus granulosus neuropeptide receptor 0.0079 0.0415 0.0414
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0079 0.0415 0.0358
Echinococcus granulosus biogenic amine 5HT receptor 0.0079 0.0415 0.0414
Echinococcus granulosus neuropeptide receptor A26 0.0079 0.0415 0.0414
Schistosoma mansoni lipoxygenase 0.0114 0.0627 0.0618
Brugia malayi G protein-coupled receptor 0.0079 0.0415 0.5255
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 0.0415 0.0358
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0141 0.0789 0.0789
Echinococcus multilocularis neuropeptide receptor A26 0.0079 0.0415 0.0414
Echinococcus granulosus tyrosine kinase 0.0072 0.0378 0.0378
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Echinococcus multilocularis dnaJ subfamily B 0.0423 0.2468 0.2468
Echinococcus multilocularis neuropeptides capa receptor 0.0079 0.0415 0.0414
Brugia malayi Tachykinin-like peptides receptor 99D 0.0079 0.0415 0.5255
Onchocerca volvulus 0.0079 0.0415 1
Schistosoma mansoni neuropeptide F-like receptor 0.0079 0.0415 0.0358
Schistosoma mansoni glutamate receptor kainate 0.0141 0.0789 0.0818
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 0.0415 0.0414
Echinococcus multilocularis g protein coupled receptor 0.0079 0.0415 0.0414
Schistosoma mansoni glutamate receptor AMPA 0.0141 0.0789 0.0818
Loa Loa (eye worm) hypothetical protein 0.0072 0.0378 0.4793
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Onchocerca volvulus 0.0079 0.0415 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0079 0.0415 0.0358
Echinococcus granulosus neuropeptide Y receptor 0.0079 0.0415 0.0414
Schistosoma mansoni neuropeptide receptor 0.0079 0.0415 0.0358
Onchocerca volvulus 0.0079 0.0415 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0282 0.5
Brugia malayi hypothetical protein 0.0079 0.0415 0.5255
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0072 0.0378 0.0378
Loa Loa (eye worm) neuropeptide F receptor 0.0079 0.0415 0.5255
Brugia malayi neuropeptide F receptor 0.0079 0.0415 0.5255
Echinococcus granulosus 7TM GPCR rhodopsin 0.0079 0.0415 0.0414
Brugia malayi metabotropic glutamate receptor type 2 0.0072 0.0378 0.4792
Brugia malayi hypothetical protein 0.0079 0.0415 0.5255
Loa Loa (eye worm) melatonin receptor type 1A 0.0079 0.0415 0.5255
Echinococcus multilocularis somatostatin receptor 0.0079 0.0415 0.0414
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 0.0415 0.0414
Echinococcus granulosus tachykinin peptides receptor 99D 0.0079 0.0415 0.0414
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Echinococcus multilocularis neuropeptide Y receptor 0.0079 0.0415 0.0414
Echinococcus granulosus metabotropic glutamate receptor 2 0.0072 0.0378 0.0378
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 0.0415 0.0414
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 0.0415 0.0358
Echinococcus granulosus tm gpcr rhodopsin 0.0079 0.0415 0.0414
Echinococcus multilocularis microtubule associated protein 2 0.0714 0.4202 0.4201
Brugia malayi hypothetical protein 0.0079 0.0415 0.5255
Echinococcus multilocularis neuropeptide Y receptor 0.0079 0.0415 0.0414
Echinococcus multilocularis glutamate receptor 2 0.0072 0.0378 0.0378
Loa Loa (eye worm) RGC/RGC protein kinase 0.0072 0.0378 0.4793
Loa Loa (eye worm) TYRA-2 protein 0.0079 0.0415 0.5255
Brugia malayi G protein-coupled receptor F59B2.13 0.0079 0.0415 0.5255
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0072 0.0378 0.8749
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0079 0.0415 0.5255
Schistosoma mansoni polycystin 1-related 0.0041 0.0189 0.0081
Echinococcus granulosus cpg binding protein 0.0031 0.0133 0.0132
Chlamydia trachomatis glutamine binding protein 0.0362 0.2107 0.5
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0079 0.0415 0.5255
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0022 0.0277
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Loa Loa (eye worm) hypothetical protein 0.0041 0.0189 0.2397
Entamoeba histolytica hypothetical protein 0.0072 0.0378 0.5
Plasmodium falciparum LCCL domain-containing protein 0.0041 0.0189 0.5
Brugia malayi G-protein coupled receptor 0.0079 0.0415 0.5255
Schistosoma mansoni amine GPCR 0.0079 0.0415 0.0358
Onchocerca volvulus 0.0072 0.0378 0.8749
Loa Loa (eye worm) G-protein coupled receptor 0.0079 0.0415 0.5255
Schistosoma mansoni lipoxygenase 0.0041 0.0189 0.0081
Brugia malayi Dopamine receptor protein 1 0.0079 0.0415 0.5255
Brugia malayi hypothetical protein 0.0079 0.0415 0.5255
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 0.0415 0.0358
Echinococcus granulosus serotonin receptor 0.0079 0.0415 0.0414
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0214 0.1221 0.1221
Echinococcus multilocularis nmda type glutamate receptor 0.1254 0.7428 0.7427
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Echinococcus granulosus neuropeptide FF receptor 2 0.0079 0.0415 0.0414
Echinococcus granulosus g-protein coupled receptor 0.0079 0.0415 0.0414
Onchocerca volvulus 0.0072 0.0378 0.8749
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0079 0.0415 0.0358
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0079 0.0415 0.0414
Echinococcus multilocularis g-protein coupled receptor 0.0079 0.0415 0.0414
Leishmania major extracellular receptor, putative 0.0072 0.0378 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0079 0.0415 1
Echinococcus granulosus g protein coupled receptor 0.0079 0.0415 0.0414
Brugia malayi hypothetical protein 0.0079 0.0415 0.5255
Loa Loa (eye worm) hypothetical protein 0.0072 0.0378 0.4793
Schistosoma mansoni rab6-interacting 0.0041 0.0189 0.0081
Schistosoma mansoni microtubule-associated protein tau 0.0714 0.4202 0.5006
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0079 0.0415 0.5255
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Loa Loa (eye worm) glutamate receptor 1 0.0141 0.0789 1
Echinococcus granulosus tm gpcr rhodopsin 0.0079 0.0415 0.0414
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0141 0.0789 0.0789
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0362 0.2107 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 0.0415 0.0358
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Brugia malayi putative neuropeptide receptor 0.0079 0.0415 0.5255
Echinococcus granulosus hypothetical protein 0.0079 0.0415 0.0414
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0214 0.1221 0.1221
Schistosoma mansoni opsin-like receptor 0.0079 0.0415 0.0358
Loa Loa (eye worm) G-protein coupled receptor 0.0079 0.0415 0.5255
Brugia malayi Melatonin receptor type 1A 0.0079 0.0415 0.5255
Schistosoma mansoni histamine h1 receptor 0.0079 0.0415 0.0358
Echinococcus granulosus alpha 1A adrenergic receptor 0.0079 0.0415 0.0414
Onchocerca volvulus 0.0041 0.0189 0.2265
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0214 0.1221 0.1221
Loa Loa (eye worm) hypothetical protein 0.0072 0.0378 0.4793
Schistosoma mansoni biogenic amine receptor 0.0079 0.0415 0.0358
Schistosoma mansoni biogenic amine receptor 0.0079 0.0415 0.0358
Echinococcus multilocularis tyrosine kinase 0.0072 0.0378 0.0378
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Schistosoma mansoni ATP-binding cassette transporter 0.0141 0.0789 0.0818
Schistosoma mansoni amine GPCR 0.0079 0.0415 0.0358
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 0.0415 0.0414
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 0.0415 0.0414
Brugia malayi Dopamine receptor protein 2 0.0079 0.0415 0.5255
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0079 0.0415 0.0414
Loa Loa (eye worm) hypothetical protein 0.0041 0.0189 0.2397
Schistosoma mansoni opsin-like receptor 0.0079 0.0415 0.0358
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Onchocerca volvulus 0.0079 0.0415 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0072 0.0378 0.4792
Schistosoma mansoni biogenic amine receptor 0.0079 0.0415 0.0358
Loa Loa (eye worm) RGC/RGC protein kinase 0.0072 0.0378 0.4793
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0079 0.0415 0.5255
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0079 0.0415 0.0414
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0079 0.0415 0.5255
Loa Loa (eye worm) CYP4Cod1 0.0013 0.0022 0.0277
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Echinococcus multilocularis receptor type guanylyl cyclase 0.0072 0.0378 0.0378
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0141 0.0789 0.0789
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0079 0.0415 0.0414
Echinococcus multilocularis neuropeptide s receptor 0.0079 0.0415 0.0414
Trypanosoma brucei cytochrome P450, putative 0.0013 0.0022 0.5
Loa Loa (eye worm) hypothetical protein 0.0072 0.0378 0.4793
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Echinococcus multilocularis glutamate receptor NMDA 0.1182 0.6995 0.6995
Echinococcus granulosus orexin receptor type 2 0.0079 0.0415 0.0414
Loa Loa (eye worm) hypothetical protein 0.0072 0.0378 0.4793
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0079 0.0415 0.5255
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0079 0.0415 0.0358
Brugia malayi hypothetical protein 0.0079 0.0415 0.5255
Echinococcus granulosus allatostatin A receptor 0.0079 0.0415 0.0414
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0362 0.2107 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0123 0.156
Schistosoma mansoni loxhd1 0.0041 0.0189 0.0081
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 0.0415 0.0358
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Echinococcus granulosus g protein coupled receptor 0.0079 0.0415 0.0414
Echinococcus multilocularis lipoxygenase domain containing protein 0.0041 0.0189 0.0188
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Onchocerca volvulus 0.0079 0.0415 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0378 0.4793
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0141 0.0789 0.0789
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0214 0.1221 0.1221
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0079 0.0415 0.0358
Onchocerca volvulus 0.0079 0.0415 1
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0072 0.0378 0.4793
Echinococcus multilocularis neuropeptide FF receptor 2 0.0079 0.0415 0.0414
Echinococcus granulosus dnaJ subfamily B 0.0423 0.2468 0.2468
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0079 0.0415 0.0414
Brugia malayi Serotonin receptor 0.0079 0.0415 0.5255
Brugia malayi hypothetical protein 0.0041 0.0189 0.2396
Echinococcus granulosus glutamate receptor 2 0.0214 0.1221 0.1221
Loa Loa (eye worm) hypothetical protein 0.0072 0.0378 0.4793
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0072 0.0378 0.4792
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0214 0.1221 0.1221
Echinococcus granulosus receptor type guanylyl cyclase 0.0072 0.0378 0.0378
Echinococcus granulosus somatostatin receptor 0.0079 0.0415 0.0414
Schistosoma mansoni tyrosine kinase 0.0072 0.0378 0.0313
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0214 0.1221 0.1221
Schistosoma mansoni neuropeptide receptor 0.0079 0.0415 0.0358
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0072 0.0378 0.4793
Schistosoma mansoni rab6-interacting 0.0041 0.0189 0.0081
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Schistosoma mansoni opsin-like receptor 0.0079 0.0415 0.0358
Schistosoma mansoni tyrosine kinase 0.0072 0.0378 0.0313
Brugia malayi hypothetical protein 0.0072 0.0378 0.4792
Trypanosoma cruzi extracellular receptor, putative 0.0072 0.0378 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0041 0.0189 0.5
Brugia malayi Serotonin receptor 0.0079 0.0415 0.5255
Echinococcus multilocularis orexin receptor type 2 0.0079 0.0415 0.0414
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Schistosoma mansoni hypothetical protein 0.0141 0.0789 0.0818
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 0.0415 0.0414
Echinococcus multilocularis NMDA receptor 0.0141 0.0789 0.0789
Echinococcus granulosus RUN 0.0041 0.0189 0.0188
Brugia malayi hypothetical protein 0.0079 0.0415 0.5255
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0079 0.0415 0.0414
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0072 0.0378 0.0378
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Echinococcus multilocularis dro:myosuppressin receptor 0.0079 0.0415 0.0414
Brugia malayi RE15519p 0.0079 0.0415 0.5255
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0079 0.0415 0.0414
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 0.0415 0.0414
Echinococcus granulosus glutamate receptor subunit protein glur 0.0141 0.0789 0.0789
Echinococcus granulosus g protein coupled receptor 0.0079 0.0415 0.0414
Schistosoma mansoni metabotropic glutamate receptor 0.0072 0.0378 0.0313
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0079 0.0415 0.0414
Loa Loa (eye worm) hypothetical protein 0.0072 0.0378 0.4793
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 0.0415 0.0358
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0141 0.0789 0.0789
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 0.0415 0.0414
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Onchocerca volvulus 0.0079 0.0415 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0079 0.0415 0.5255
Onchocerca volvulus 0.0079 0.0415 1
Echinococcus multilocularis allatostatin A receptor 0.0079 0.0415 0.0414
Echinococcus granulosus nmda type glutamate receptor 0.1254 0.7428 0.7427
Onchocerca volvulus Neuropeptide F receptor homolog 0.0079 0.0415 1
Schistosoma mansoni glutamate receptor kainate 0.0141 0.0789 0.0818
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 0.0415 0.0414
Brugia malayi Doublecortin family protein 0.0041 0.0189 0.2396
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0079 0.0415 0.0358
Echinococcus granulosus atrial natriuretic peptide receptor 0.0072 0.0378 0.0378
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 0.0415 0.0414
Schistosoma mansoni hypothetical protein 0.0079 0.0415 0.0358
Brugia malayi Dopamine receptor 0.0079 0.0415 0.5255
Echinococcus granulosus glutamate NMDA receptor subunit 0.0141 0.0789 0.0789
Brugia malayi AKH receptor 0.0079 0.0415 0.5255
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0079 0.0415 0.5255
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Brugia malayi larval opioid receptor 0.0079 0.0415 0.5255
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0079 0.0415 0.0414
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Brugia malayi Guanylyl cyclase protein 23 0.0072 0.0378 0.4792
Echinococcus granulosus glutamate receptor NMDA 0.1182 0.6995 0.6995
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Echinococcus granulosus G protein coupled receptor 139 0.0079 0.0415 0.0414
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0114 0.0627 0.0626
Onchocerca volvulus 0.0079 0.0415 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0322 0.0244
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 0.0415 0.0358
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0114 0.0627 0.0626
Schistosoma mansoni cpg binding protein 0.0031 0.0133 0.0012
Echinococcus multilocularis neuropeptides capa receptor 0.0079 0.0415 0.0414
Schistosoma mansoni neuropeptide f receptor 76f 0.0079 0.0415 0.0358
Echinococcus multilocularis G-protein coupled receptor, putative 0.0079 0.0415 0.0414
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0079 0.0415 0.0414
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Loa Loa (eye worm) glutamate receptor 2 0.0141 0.0789 1
Echinococcus multilocularis sex peptide receptor 0.0079 0.0415 0.0414
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0362 0.2107 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Schistosoma mansoni adenoreceptor 0.0079 0.0415 0.0358
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0141 0.0789 0.0789
Echinococcus granulosus sex peptide receptor 0.0079 0.0415 0.0414
Echinococcus granulosus microtubule associated protein 2 0.0714 0.4202 0.4201
Echinococcus multilocularis fmrfamide receptor 0.0079 0.0415 0.0414
Loa Loa (eye worm) RGC/RGC protein kinase 0.0072 0.0378 0.4793
Loa Loa (eye worm) doublecortin family protein 0.0041 0.0189 0.2397
Schistosoma mansoni myosin xvIII 0.0079 0.0415 0.0358
Echinococcus multilocularis cpg binding protein 0.0031 0.0133 0.0132
Onchocerca volvulus 0.0079 0.0415 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Brugia malayi hypothetical protein 0.0041 0.0189 0.2396
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Schistosoma mansoni neuropeptide receptor 0.0079 0.0415 0.0358
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Onchocerca volvulus 0.0079 0.0415 1
Onchocerca volvulus 0.0079 0.0415 1
Echinococcus multilocularis g protein coupled receptor 0.0079 0.0415 0.0414
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0079 0.0415 0.0414
Brugia malayi hypothetical protein 0.0079 0.0415 0.5255
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0504 0.2951 0.295
Echinococcus multilocularis g protein coupled receptor 0.0079 0.0415 0.0414
Echinococcus granulosus tm gpcr rhodopsin 0.0079 0.0415 0.0414
Schistosoma mansoni glutamate receptor NMDA 0.1396 0.8271 1
Echinococcus granulosus neuropeptide s receptor 0.0079 0.0415 0.0414
Echinococcus multilocularis serotonin receptor 0.0079 0.0415 0.0414
Echinococcus granulosus peptide allatostatin:somatostatin 0.0079 0.0415 0.0414
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0214 0.1221 0.1221
Schistosoma mansoni hypothetical protein 0.0423 0.2468 0.2879
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 0.0415 0.0414
Brugia malayi G-protein coupled receptor 0.0079 0.0415 0.5255
Brugia malayi CXXC zinc finger family protein 0.003 0.0123 0.1559
Echinococcus granulosus neuropeptide receptor 0.0079 0.0415 0.0414
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0079 0.0415 0.5255
Brugia malayi Glutamate receptor 1 precursor 0.0141 0.0789 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0079 0.0415 0.0414
Schistosoma mansoni amine GPCR 0.0079 0.0415 0.0358
Brugia malayi follicle stimulating hormone receptor 0.0079 0.0415 0.5255
Echinococcus granulosus lipoxygenase domain containing protein 0.0041 0.0189 0.0188
Echinococcus multilocularis neuropeptide receptor 0.0079 0.0415 0.0414
Echinococcus granulosus neuropeptide Y receptor 0.0079 0.0415 0.0414
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 0.0415 0.0414
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0079 0.0415 0.0414
Brugia malayi neuropeptide F receptor 0.0079 0.0415 0.5255
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 0.0415 0.0414
Schistosoma mansoni protein kinase 0.0072 0.0378 0.0313
Loa Loa (eye worm) glutamate receptor 0.0072 0.0378 0.4793
Echinococcus multilocularis RUN 0.0041 0.0189 0.0188
Echinococcus granulosus glutamate receptor 2 0.0072 0.0378 0.0378
Echinococcus multilocularis glutamate receptor 2 0.0214 0.1221 0.1221
Echinococcus granulosus biogenic amine 5HT receptor 0.0079 0.0415 0.0414
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0079 0.0415 0.0358
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0079 0.0415 0.0414
Schistosoma mansoni amine GPCR 0.0079 0.0415 0.0358
Brugia malayi hypothetical protein 0.0079 0.0415 0.5255
Schistosoma mansoni alpha-1 adrenergic receptor 0.0079 0.0415 0.0358
Schistosoma mansoni amine GPCR 0.0079 0.0415 0.0358
Schistosoma mansoni hypothetical protein 0.0041 0.0189 0.0081
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0079 0.0415 0.0414
Echinococcus multilocularis fmrfamide receptor 0.0079 0.0415 0.0414
Schistosoma mansoni neuropeptide F-like receptor 0.0079 0.0415 0.0358
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0079 0.0415 0.0414
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0079 0.0415 0.0358
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0079 0.0415 0.0414
Echinococcus granulosus lipoxygenase domain containing protein 0.0041 0.0189 0.0188
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Echinococcus multilocularis neuropeptide receptor 0.0079 0.0415 0.0414
Loa Loa (eye worm) hypothetical protein 0.0072 0.0378 0.4793
Loa Loa (eye worm) hypothetical protein 0.0079 0.0415 0.5255
Onchocerca volvulus 0.0079 0.0415 1
Brugia malayi Cytochrome P450 family protein 0.0013 0.0022 0.0276
Onchocerca volvulus 0.0079 0.0415 1
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0141 0.0789 0.0789
Schistosoma mansoni biogenic amine (5HT) receptor 0.0079 0.0415 0.0358

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 18 uM In vitro reversal activity versus ~90% block by rocuronium in isolated mouse hemidiaphragm,expressed as effective conc. ChEMBL. 11960492
Max reversal (functional) = 30.4 % In vitro reversal activity versus ~90% block by rocuronium in isolated mouse hemidiaphragm,expressed as % of maximum reversal at 18 uM conc. ChEMBL. 11960492

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 11960492

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

No literature references available for this target.

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