Detailed information for compound 377989

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1994.27 | Formula: C72H120N8O40S8
  • H donors: 24 H acceptors: 24 LogP: -11.73 Rotable bonds: 40
    Rule of 5 violations (Lipinski): 4
  • SMILES: CNC(=O)CSCC1O[C@@H]2O[C@@H]3C(CSCC(=O)NC)O[C@H]([C@H]([C@@H]3O)O)O[C@@H]3C(CSCC(=O)NC)O[C@H]([C@H]([C@@H]3O)O)O[C@@H]3C(CSCC(=O)NC)O[C@H]([C@H]([C@@H]3O)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]1[C@H]([C@@H]2O)O)[C@@H](O)[C@@H]6O)CSCC(=O)NC)[C@@H](O)[C@@H]5O)CSCC(=O)NC)[C@@H](O)[C@@H]4O)CSCC(=O)NC)[C@H]([C@@H]3O)O)CSCC(=O)NC
  • InChi: 1S/C72H120N8O40S8/c1-73-33(81)17-121-9-25-57-41(89)49(97)65(105-25)114-58-26(10-122-18-34(82)74-2)107-67(51(99)43(58)91)116-60-28(12-124-20-36(84)76-4)109-69(53(101)45(60)93)118-62-30(14-126-22-38(86)78-6)111-71(55(103)47(62)95)120-64-32(16-128-24-40(88)80-8)112-72(56(104)48(64)96)119-63-31(15-127-23-39(87)79-7)110-70(54(102)46(63)94)117-61-29(13-125-21-37(85)77-5)108-68(52(100)44(61)92)115-59-27(11-123-19-35(83)75-3)106-66(113-57)50(98)42(59)90/h25-32,41-72,89-104H,9-24H2,1-8H3,(H,73,81)(H,74,82)(H,75,83)(H,76,84)(H,77,85)(H,78,86)(H,79,87)(H,80,88)/t25?,26?,27?,28?,29?,30?,31?,32?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72?/m1/s1
  • InChiKey: UHQYDFDMHYFVOI-KQUNNLHFSA-N  


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
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.003 0.0325 0.0323
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0019 0.0152 0.3384
Onchocerca volvulus 0.003 0.0325 0.5799
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Schistosoma mansoni cpg binding protein 0.0028 0.0293 0.0143
Echinococcus granulosus thyrotropin releasing hormone receptor 0.003 0.0325 0.0323
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Echinococcus multilocularis glutamate receptor 2 0.0055 0.07 0.0699
Onchocerca volvulus 0.003 0.0325 0.5799
Echinococcus granulosus g protein coupled receptor 0.003 0.0325 0.0323
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0019 0.0152 0.3382
Echinococcus granulosus rhodopsin orphan GPCR 0.003 0.0325 0.0323
Leishmania major extracellular receptor, putative 0.0019 0.0152 1
Schistosoma mansoni biogenic amine receptor 0.003 0.0325 0.0175
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0055 0.07 0.0699
Echinococcus granulosus 7TM GPCR rhodopsin 0.003 0.0325 0.0323
Schistosoma mansoni neuropeptide F-like receptor 0.003 0.0325 0.0175
Brugia malayi Cytochrome P450 family protein 0.0012 0.0052 0.1151
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0055 0.07 0.0699
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0036 0.0419 0.0418
Schistosoma mansoni opsin-like receptor 0.003 0.0325 0.0175
Brugia malayi G-protein coupled receptor 0.003 0.0325 0.722
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Loa Loa (eye worm) hypothetical protein 0.0019 0.0152 0.3384
Schistosoma mansoni rhodopsin-like orphan GPCR 0.003 0.0325 0.0175
Loa Loa (eye worm) G-protein coupled receptor 0.003 0.0325 0.7221
Echinococcus granulosus rhodopsin orphan GPCR 0.003 0.0325 0.0323
Onchocerca volvulus 0.0038 0.045 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Schistosoma mansoni biogenic amine (dopamine) receptor 0.003 0.0325 0.0175
Echinococcus granulosus tm gpcr rhodopsin 0.003 0.0325 0.0323
Brugia malayi hypothetical protein 0.0038 0.045 1
Echinococcus multilocularis allatostatin A receptor 0.003 0.0325 0.0323
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0093 0.1276 0.5
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0019 0.0152 0.0151
Echinococcus multilocularis rhodopsin orphan GPCR 0.003 0.0325 0.0323
Echinococcus multilocularis rhodopsin orphan GPCR 0.003 0.0325 0.0323
Loa Loa (eye worm) hypothetical protein 0.0019 0.0152 0.3384
Echinococcus multilocularis tyrosine kinase 0.0019 0.0152 0.0151
Brugia malayi follicle stimulating hormone receptor 0.003 0.0325 0.722
Echinococcus multilocularis serotonin receptor 0.003 0.0325 0.0323
Echinococcus granulosus neuropeptide FF receptor 2 0.003 0.0325 0.0323
Schistosoma mansoni hypothetical protein 0.0397 0.5875 0.5811
Echinococcus granulosus dnaJ subfamily B 0.0397 0.5875 0.5874
Brugia malayi hypothetical protein 0.003 0.0325 0.722
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.003 0.0325 0.7221
Chlamydia trachomatis glutamine binding protein 0.0093 0.1276 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.003 0.0325 0.5799
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0002 0.004
Echinococcus granulosus somatostatin receptor 0.003 0.0325 0.0323
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0055 0.07 0.0699
Loa Loa (eye worm) doublecortin family protein 0.0038 0.045 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Brugia malayi Melatonin receptor type 1A 0.003 0.0325 0.722
Echinococcus granulosus lipoxygenase domain containing protein 0.0038 0.045 0.0448
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Loa Loa (eye worm) TYRA-2 protein 0.003 0.0325 0.7221
Echinococcus granulosus biogenic amine 5HT receptor 0.003 0.0325 0.0323
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.003 0.0325 0.7221
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.003 0.0325 0.0175
Loa Loa (eye worm) RGC/RGC protein kinase 0.0019 0.0152 0.3384
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0107 0.1492 0.149
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0055 0.07 0.0699
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.003 0.0325 0.0175
Schistosoma mansoni opsin-like receptor 0.003 0.0325 0.0175
Brugia malayi hypothetical protein 0.003 0.0325 0.722
Echinococcus multilocularis dro:myosuppressin receptor 0.003 0.0325 0.0323
Echinococcus multilocularis serotonin receptor 0.003 0.0325 0.0323
Echinococcus granulosus tm gpcr rhodopsin 0.003 0.0325 0.0323
Brugia malayi hypothetical protein 0.003 0.0325 0.722
Onchocerca volvulus 0.003 0.0325 0.5799
Onchocerca volvulus 0.003 0.0325 0.5799
Schistosoma mansoni rab6-interacting 0.0038 0.045 0.0302
Echinococcus granulosus glutamate receptor 2 0.0019 0.0152 0.0151
Brugia malayi Serotonin receptor 0.003 0.0325 0.722
Echinococcus multilocularis neuropeptides capa receptor 0.003 0.0325 0.0323
Echinococcus granulosus neuropeptide receptor A26 0.003 0.0325 0.0323
Echinococcus multilocularis G-protein coupled receptor, putative 0.003 0.0325 0.0323
Echinococcus multilocularis rhodopsin orphan GPCR 0.003 0.0325 0.0323
Schistosoma mansoni glutamate receptor NMDA 0.0036 0.0419 0.0271
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Onchocerca volvulus 0.003 0.0325 0.5799
Echinococcus granulosus g-protein coupled receptor 0.003 0.0325 0.0323
Brugia malayi Serotonin/octopamine receptor family protein 7 0.003 0.0325 0.722
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Schistosoma mansoni polycystin 1-related 0.0038 0.045 0.0302
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Schistosoma mansoni amine GPCR 0.003 0.0325 0.0175
Echinococcus granulosus neuropeptides capa receptor 0.003 0.0325 0.0323
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Echinococcus multilocularis g protein coupled receptor 0.003 0.0325 0.0323
Onchocerca volvulus 0.003 0.0325 0.5799
Echinococcus granulosus neuropeptide receptor 0.003 0.0325 0.0323
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0052 0.1154
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Schistosoma mansoni glutamate receptor kainate 0.0036 0.0419 0.0271
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.003 0.0325 0.0175
Echinococcus multilocularis biogenic amine (5HT) receptor 0.003 0.0325 0.0323
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0019 0.0152 0.3384
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0129 0.1824 0.1823
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Echinococcus multilocularis rhodopsin orphan GPCR 0.003 0.0325 0.0323
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.003 0.0325 0.0323
Echinococcus multilocularis neuropeptide Y receptor 0.003 0.0325 0.0323
Brugia malayi hypothetical protein 0.003 0.0325 0.722
Echinococcus granulosus g protein coupled receptor 0.003 0.0325 0.0323
Brugia malayi larval opioid receptor 0.003 0.0325 0.722
Echinococcus multilocularis neuropeptide FF receptor 2 0.003 0.0325 0.0323
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Loa Loa (eye worm) hypothetical protein 0.0019 0.0152 0.3384
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Loa Loa (eye worm) RGC/RGC protein kinase 0.0019 0.0152 0.3384
Echinococcus multilocularis rhodopsin orphan GPCR 0.003 0.0325 0.0323
Echinococcus multilocularis glutamate receptor 2 0.0019 0.0152 0.0151
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.003 0.0325 0.0323
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0052 0.1154
Loa Loa (eye worm) glutamate receptor 1 0.0036 0.0419 0.9316
Schistosoma mansoni neuropeptide F-like receptor 0.003 0.0325 0.0175
Brugia malayi Receptor family ligand binding region containing protein 0.0019 0.0152 0.3382
Onchocerca volvulus 0.003 0.0325 0.5799
Echinococcus granulosus neuropeptides capa receptor 0.003 0.0325 0.0323
Echinococcus granulosus receptor type guanylyl cyclase 0.0019 0.0152 0.0151
Schistosoma mansoni lipoxygenase 0.0038 0.045 0.0302
Onchocerca volvulus 0.0038 0.045 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Onchocerca volvulus 0.003 0.0325 0.5799
Loa Loa (eye worm) glutamate receptor 0.0019 0.0152 0.3384
Echinococcus granulosus glutamate receptor NMDA 0.0231 0.3368 0.3367
Brugia malayi putative neuropeptide receptor NPR1 0.003 0.0325 0.722
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0055 0.07 0.0699
Brugia malayi gonadotropin-releasing hormone receptor 2 0.003 0.0325 0.722
Brugia malayi ORL1-like opioid receptor 0.003 0.0325 0.722
Entamoeba histolytica hypothetical protein 0.0019 0.0152 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.003 0.0325 0.0323
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.003 0.0325 0.0175
Schistosoma mansoni rhodopsin-like orphan GPCR 0.003 0.0325 0.0175
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0766 0.0623
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0293 0.6507
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0019 0.0152 0.0151
Echinococcus granulosus g protein coupled receptor 0.003 0.0325 0.0323
Loa Loa (eye worm) hypothetical protein 0.0019 0.0152 0.3384
Echinococcus granulosus neuropeptide receptor 0.003 0.0325 0.0323
Echinococcus multilocularis dnaJ subfamily B 0.0397 0.5875 0.5874
Echinococcus granulosus metabotropic glutamate receptor 2 0.0019 0.0152 0.0151
Echinococcus granulosus cpg binding protein 0.0029 0.0317 0.0315
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Echinococcus multilocularis g protein coupled receptor 0.003 0.0325 0.0323
Echinococcus granulosus neuropeptide s receptor 0.003 0.0325 0.0323
Brugia malayi RE15519p 0.003 0.0325 0.722
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.067 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.003 0.0325 0.0323
Brugia malayi hypothetical protein 0.0019 0.0152 0.3382
Schistosoma mansoni rhodopsin-like orphan GPCR 0.003 0.0325 0.0175
Echinococcus granulosus rhodopsin orphan GPCR 0.003 0.0325 0.0323
Brugia malayi G-protein coupled receptor 0.003 0.0325 0.722
Echinococcus multilocularis fmrfamide receptor 0.003 0.0325 0.0323
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0019 0.0152 0.3384
Brugia malayi hypothetical protein 0.003 0.0325 0.722
Echinococcus multilocularis neuropeptide receptor 0.003 0.0325 0.0323
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.003 0.0325 0.0323
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.003 0.0325 0.0323
Schistosoma mansoni loxhd1 0.0038 0.045 0.0302
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Schistosoma mansoni glutamate receptor kainate 0.0036 0.0419 0.0271
Loa Loa (eye worm) melatonin receptor type 1A 0.003 0.0325 0.7221
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Brugia malayi Metabotropic glutamate receptor precursor. 0.0019 0.0152 0.3382
Echinococcus granulosus G protein coupled receptor 139 0.003 0.0325 0.0323
Brugia malayi GnHR receptor homolog 0.003 0.0325 0.722
Loa Loa (eye worm) neuropeptide F receptor 0.003 0.0325 0.7221
Brugia malayi neuropeptide F receptor 0.003 0.0325 0.722
Echinococcus granulosus rhodopsin orphan GPCR 0.003 0.0325 0.0323
Schistosoma mansoni rab6-interacting 0.0038 0.045 0.0302
Echinococcus granulosus allatostatin A receptor 0.003 0.0325 0.0323
Brugia malayi Dopamine receptor protein 1 0.003 0.0325 0.722
Onchocerca volvulus 0.003 0.0325 0.5799
Loa Loa (eye worm) hypothetical protein 0.0038 0.045 1
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0036 0.0419 0.0418
Schistosoma mansoni glutamate receptor AMPA 0.0036 0.0419 0.0271
Brugia malayi G protein-coupled receptor 0.003 0.0325 0.722
Schistosoma mansoni myosin xvIII 0.003 0.0325 0.0175
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Schistosoma mansoni ATP-binding cassette transporter 0.0036 0.0419 0.0271
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.003 0.0325 0.7221
Echinococcus granulosus Polycystic kidney disease protein 0.0038 0.045 0.0448
Echinococcus multilocularis lipoxygenase domain containing protein 0.0038 0.045 0.0448
Loa Loa (eye worm) hypothetical protein 0.0038 0.045 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.003 0.0325 0.0323
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.003 0.0325 0.722
Trypanosoma cruzi extracellular receptor, putative 0.0019 0.0152 1
Brugia malayi G protein-coupled receptor F59B2.13 0.003 0.0325 0.722
Schistosoma mansoni glutamate receptor kainate 0.0036 0.0419 0.0271
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.003 0.0325 0.0323
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.003 0.0325 0.0175
Schistosoma mansoni amine GPCR 0.003 0.0325 0.0175
Loa Loa (eye worm) hypothetical protein 0.0019 0.0152 0.3384
Brugia malayi AKH receptor 0.003 0.0325 0.722
Echinococcus granulosus neuropeptide Y receptor 0.003 0.0325 0.0323
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0055 0.07 0.0699
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Echinococcus granulosus peptide allatostatin:somatostatin 0.003 0.0325 0.0323
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Loa Loa (eye worm) hypothetical protein 0.0019 0.0152 0.3384
Schistosoma mansoni neuropeptide receptor 0.003 0.0325 0.0175
Brugia malayi metabotropic glutamate receptor type 2 0.0019 0.0152 0.3382
Schistosoma mansoni neuropeptide receptor 0.003 0.0325 0.0175
Onchocerca volvulus 0.003 0.0325 0.5799
Echinococcus granulosus glutamate receptor subunit protein glur 0.0036 0.0419 0.0418
Schistosoma mansoni amine GPCR 0.003 0.0325 0.0175
Schistosoma mansoni glutamate receptor AMPA 0.0036 0.0419 0.0271
Loa Loa (eye worm) neuropeptide F receptor 0.003 0.0325 0.7221
Brugia malayi hypothetical protein 0.0038 0.045 1
Echinococcus granulosus glutamate receptor 2 0.0055 0.07 0.0699
Schistosoma mansoni lipoxygenase 0.0107 0.1492 0.136
Schistosoma mansoni rhodopsin-like orphan GPCR 0.003 0.0325 0.0175
Onchocerca volvulus 0.003 0.0325 0.5799
Echinococcus granulosus dro:myosuppressin receptor 0.003 0.0325 0.0323
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Echinococcus multilocularis neuropeptide receptor A26 0.003 0.0325 0.0323
Brugia malayi hypothetical protein 0.003 0.0325 0.722
Loa Loa (eye worm) hypothetical protein 0.0019 0.0152 0.3384
Schistosoma mansoni hypothetical protein 0.0038 0.045 0.0302
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Brugia malayi Serotonin receptor 0.003 0.0325 0.722
Schistosoma mansoni growth hormone secretagogue receptor 0.003 0.0325 0.0175
Schistosoma mansoni hypothetical protein 0.003 0.0325 0.0175
Onchocerca volvulus 0.003 0.0325 0.5799
Schistosoma mansoni adenoreceptor 0.003 0.0325 0.0175
Echinococcus multilocularis rhodopsin orphan GPCR 0.003 0.0325 0.0323
Echinococcus multilocularis rhodopsin orphan GPCR 0.003 0.0325 0.0323
Echinococcus granulosus tyrosine kinase 0.0019 0.0152 0.0151
Echinococcus multilocularis g protein coupled receptor 0.003 0.0325 0.0323
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.003 0.0325 0.722
Schistosoma mansoni cpg binding protein 0.0029 0.0317 0.0167
Schistosoma mansoni rhodopsin-like orphan GPCR 0.003 0.0325 0.0175
Brugia malayi Dopamine receptor 0.003 0.0325 0.722
Echinococcus multilocularis G protein coupled receptor 139 0.003 0.0325 0.0323
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.003 0.0325 0.0323
Loa Loa (eye worm) hypothetical protein 0.0019 0.0152 0.3384
Echinococcus multilocularis neuropeptide Y receptor 0.003 0.0325 0.0323
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Brugia malayi neuropeptide F receptor 0.003 0.0325 0.722
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Onchocerca volvulus 0.003 0.0325 0.5799
Brugia malayi hypothetical protein 0.003 0.0325 0.722
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.003 0.0325 0.0323
Echinococcus granulosus rhodopsin orphan GPCR 0.003 0.0325 0.0323
Schistosoma mansoni microtubule-associated protein tau 0.067 1 1
Trypanosoma brucei cytochrome P450, putative 0.0012 0.0052 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.003 0.0325 0.0175
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0036 0.0419 0.0418
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.003 0.0325 0.7221
Echinococcus multilocularis microtubule associated protein 2 0.067 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0052 0.1154
Schistosoma mansoni biogenic amine receptor 0.003 0.0325 0.0175
Echinococcus granulosus glutamate NMDA receptor subunit 0.0036 0.0419 0.0418
Brugia malayi Doublecortin family protein 0.0038 0.045 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.003 0.0325 0.0175
Schistosoma mansoni cpg binding protein 0.0029 0.0317 0.0167
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.003 0.0325 0.0323
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0055 0.07 0.0699
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0093 0.1276 0.5
Echinococcus multilocularis sex peptide receptor 0.003 0.0325 0.0323
Echinococcus multilocularis tachykinin peptides receptor 99D 0.003 0.0325 0.0323
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.003 0.0325 0.0323
Echinococcus granulosus fmrfamide receptor 0.003 0.0325 0.0323
Schistosoma mansoni neuropeptide receptor 0.003 0.0325 0.0175
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.003 0.0325 0.0175
Schistosoma mansoni rhodopsin-like orphan GPCR 0.003 0.0325 0.0175
Brugia malayi Glutamate receptor 2 precursor 0.0036 0.0419 0.9316
Echinococcus granulosus atrial natriuretic peptide receptor 0.0019 0.0152 0.0151
Echinococcus granulosus sex peptide receptor 0.003 0.0325 0.0323
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Echinococcus multilocularis receptor type guanylyl cyclase 0.0019 0.0152 0.0151
Echinococcus granulosus serotonin receptor 0.003 0.0325 0.0323
Schistosoma mansoni alpha-1 adrenergic receptor 0.003 0.0325 0.0175
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0036 0.0419 0.0418
Onchocerca volvulus 0.003 0.0325 0.5799
Brugia malayi Tachykinin-like peptides receptor 99D 0.003 0.0325 0.722
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Echinococcus granulosus RUN 0.0038 0.045 0.0448
Brugia malayi hypothetical protein 0.003 0.0325 0.722
Onchocerca volvulus 0.003 0.0325 0.5799
Schistosoma mansoni hypothetical protein 0.003 0.0325 0.0175
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0093 0.1276 0.5
Echinococcus granulosus neuropeptide Y receptor 0.003 0.0325 0.0323
Echinococcus multilocularis g-protein coupled receptor 0.003 0.0325 0.0323
Loa Loa (eye worm) G-protein coupled receptor 0.003 0.0325 0.7221
Echinococcus multilocularis glutamate receptor NMDA 0.0231 0.3368 0.3367
Echinococcus granulosus nmda type glutamate receptor 0.025 0.3649 0.3648
Brugia malayi hypothetical protein 0.003 0.0325 0.722
Plasmodium vivax multidomain scavenger receptor, putative 0.0038 0.045 0.5
Echinococcus multilocularis Polycystic kidney disease protein 0.0038 0.045 0.0448
Echinococcus granulosus biogenic amine 5HT receptor 0.003 0.0325 0.0323
Schistosoma mansoni rhodopsin-like orphan GPCR 0.003 0.0325 0.0175
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.003 0.0325 0.0323
Echinococcus granulosus lipoxygenase domain containing protein 0.0038 0.045 0.0448
Brugia malayi hypothetical protein 0.003 0.0325 0.722
Loa Loa (eye worm) glutamate receptor 2 0.0036 0.0419 0.9316
Echinococcus multilocularis fmrfamide receptor 0.003 0.0325 0.0323
Brugia malayi CXXC zinc finger family protein 0.0028 0.0293 0.6506
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.003 0.0325 0.0175
Echinococcus granulosus orexin receptor type 2 0.003 0.0325 0.0323
Brugia malayi putative neuropeptide receptor 0.003 0.0325 0.722
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.003 0.0325 0.0323
Onchocerca volvulus 0.003 0.0325 0.5799
Schistosoma mansoni neuropeptide f receptor 76f 0.003 0.0325 0.0175
Echinococcus multilocularis rhodopsin orphan GPCR 0.003 0.0325 0.0323
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0107 0.1492 0.149
Onchocerca volvulus 0.003 0.0325 0.5799
Echinococcus multilocularis glutamate receptor 2 0.0036 0.0419 0.0418
Loa Loa (eye worm) hypothetical protein 0.0019 0.0152 0.3384
Echinococcus multilocularis neuropeptide s receptor 0.003 0.0325 0.0323
Brugia malayi Dopamine receptor protein 2 0.003 0.0325 0.722
Schistosoma mansoni histamine h1 receptor 0.003 0.0325 0.0175
Echinococcus granulosus rhodopsin orphan GPCR 0.003 0.0325 0.0323
Echinococcus granulosus hypothetical protein 0.003 0.0325 0.0323
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Schistosoma mansoni glutamate receptor NMDA 0.0286 0.4197 0.4108
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Schistosoma mansoni amine GPCR 0.003 0.0325 0.0175
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.003 0.0325 0.0323
Echinococcus multilocularis nmda type glutamate receptor 0.025 0.3649 0.3648
Echinococcus multilocularis orexin receptor type 2 0.003 0.0325 0.0323
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.003 0.0325 0.0175
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.003 0.0325 0.0175
Echinococcus granulosus metabotropic glutamate receptor 5 0.0019 0.0152 0.0151
Echinococcus multilocularis cpg binding protein 0.0029 0.0317 0.0315
Plasmodium falciparum LCCL domain-containing protein 0.0038 0.045 0.5
Schistosoma mansoni peptide (allatostatin)-like receptor 0.003 0.0325 0.0175
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0036 0.0419 0.0418
Brugia malayi Receptor family ligand binding region containing protein 0.0019 0.0152 0.3382
Brugia malayi sulfakinin receptor protein 0.003 0.0325 0.722
Echinococcus multilocularis neuropeptide receptor 0.003 0.0325 0.0323
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0093 0.1276 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.003 0.0325 0.0175
Schistosoma mansoni biogenic amine (5HT) receptor 0.003 0.0325 0.0175
Echinococcus granulosus tachykinin peptides receptor 99D 0.003 0.0325 0.0323
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Schistosoma mansoni hypothetical protein 0.003 0.0325 0.0175
Echinococcus multilocularis nmda type glutamate receptor 0.036 0.5321 0.532
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Brugia malayi Glutamate receptor 1 precursor 0.0036 0.0419 0.9316
Echinococcus multilocularis alpha 1A adrenergic receptor 0.003 0.0325 0.0323
Schistosoma mansoni amine GPCR 0.003 0.0325 0.0175
Onchocerca volvulus 0.0028 0.0293 0.472
Loa Loa (eye worm) hypothetical protein 0.003 0.0325 0.7221
Schistosoma mansoni hypothetical protein 0.003 0.0325 0.0175
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0055 0.07 0.0699
Echinococcus multilocularis somatostatin receptor 0.003 0.0325 0.0323
Brugia malayi Guanylyl cyclase protein 23 0.0019 0.0152 0.3382
Echinococcus granulosus tm gpcr rhodopsin 0.003 0.0325 0.0323
Echinococcus granulosus nmda type glutamate receptor 0.036 0.5321 0.532
Echinococcus granulosus 7tm_1 domain containing protein 0.003 0.0325 0.0323
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0036 0.0419 0.0418
Brugia malayi Cytochrome P450 family protein 0.0012 0.0052 0.1151
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.003 0.0325 0.5799
Echinococcus multilocularis RUN 0.0038 0.045 0.0448
Schistosoma mansoni biogenic amine (dopamine) receptor 0.003 0.0325 0.0175
Schistosoma mansoni biogenic amine receptor 0.003 0.0325 0.0175
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0093 0.1276 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.003 0.0325 0.7221
Schistosoma mansoni neuropeptide receptor 0.003 0.0325 0.0175
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.003 0.0325 0.722
Schistosoma mansoni biogenic amine (5HT) receptor 0.003 0.0325 0.0175
Loa Loa (eye worm) RGC/RGC protein kinase 0.0019 0.0152 0.3384
Echinococcus multilocularis neuropeptides capa receptor 0.003 0.0325 0.0323
Echinococcus granulosus alpha 1A adrenergic receptor 0.003 0.0325 0.0323
Echinococcus multilocularis NMDA receptor 0.0036 0.0419 0.0418
Echinococcus multilocularis lipoxygenase domain containing protein 0.0038 0.045 0.0448
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0019 0.0152 0.0151
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.003 0.0325 0.0323
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0036 0.0419 0.0418
Schistosoma mansoni hypothetical protein 0.0036 0.0419 0.0271
Schistosoma mansoni opsin-like receptor 0.003 0.0325 0.0175

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 6.4 uM In vitro reversal activity versus ~90% block by rocuronium in isolated mouse hemidiaphragm,expressed as effective conc. ChEMBL. 11960492
ED50 (functional) = 1.54 uM kg-1 In vivo reversal activity versus ~90% block by rocuronium in guinea pig ChEMBL. 11960492
Max reversal (functional) = 79.6 % In vitro reversal activity versus ~90% block by rocuronium in isolated mouse hemidiaphragm,expressed as % of maximum reversal at 14.4 uM conc. ChEMBL. 11960492
Max reversal (functional) = 102.2 % In vivo reversal activity versus ~90% block by rocuronium in guinea pig, expressed as % of maximum reversal at 7.3 umol/kg conc. ChEMBL. 11960492

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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