Detailed information for compound 222561

Basic information

Technical information
  • TDR Targets ID: 222561
  • Name: [3-[[methyl-[4-(9-oxoxanthen-3-yl)oxybutyl]am ino]methyl]phenyl] N-methylcarbamate
  • MW: 460.522 | Formula: C27H28N2O5
  • H donors: 1 H acceptors: 2 LogP: 4.76 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)Oc1cccc(c1)CN(CCCCOc1ccc2c(c1)oc1c(c2=O)cccc1)C
  • InChi: 1S/C27H28N2O5/c1-28-27(31)33-21-9-7-8-19(16-21)18-29(2)14-5-6-15-32-20-12-13-23-25(17-20)34-24-11-4-3-10-22(24)26(23)30/h3-4,7-13,16-17H,5-6,14-15,18H2,1-2H3,(H,28,31)
  • InChiKey: KBOSVOZLQUMJKM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-methylcarbamic acid [3-[[methyl-[4-[(9-oxo-3-xanthenyl)oxy]butyl]amino]methyl]phenyl] ester
  • N-methylcarbamic acid [3-[[4-(9-ketoxanthen-3-yl)oxybutyl-methyl-amino]methyl]phenyl] ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens acetylcholinesterase (Yt blood group) Starlite/ChEMBL References
Rattus norvegicus Acetylcholinesterase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K01049 acetylcholinesterase [EC3.1.1.7], putative Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) carboxylesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) acetylcholinesterase 1 Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum Acetylcholinesterase 1 precursor, putative Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Carboxylesterase family protein acetylcholinesterase (Yt blood group) 614 aa 510 aa 26.5 %
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   614 aa 570 aa 25.4 %
Onchocerca volvulus Putative nuclear protein Acetylcholinesterase   614 aa 577 aa 40.7 %
Onchocerca volvulus Acetylcholinesterase   614 aa 581 aa 27.0 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   614 aa 573 aa 30.5 %
Echinococcus multilocularis neuroligin Acetylcholinesterase   614 aa 496 aa 24.0 %
Onchocerca volvulus Acetylcholinesterase   614 aa 583 aa 30.7 %
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   614 aa 574 aa 24.0 %
Drosophila melanogaster CG10175 gene product from transcript CG10175-RE Acetylcholinesterase   614 aa 547 aa 32.5 %
Echinococcus multilocularis BC026374 protein (S09 family) Acetylcholinesterase   614 aa 642 aa 34.0 %
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Acetylcholinesterase   614 aa 602 aa 24.3 %
Echinococcus granulosus BC026374 protein S09 family Acetylcholinesterase   614 aa 642 aa 34.1 %
Onchocerca volvulus Molybdopterin synthase catalytic subunit homolog Acetylcholinesterase   614 aa 564 aa 29.8 %
Onchocerca volvulus Acetylcholinesterase   614 aa 632 aa 25.6 %
Onchocerca volvulus Carnitine O-palmitoyltransferase 2, mitochondrial homolog Acetylcholinesterase   614 aa 531 aa 39.7 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   614 aa 507 aa 26.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni amine GPCR 0.0034 0.0137 0.0105
Brugia malayi GnHR receptor homolog 0.0034 0.0137 0.0499
Brugia malayi G protein-coupled receptor F59B2.13 0.0034 0.0137 0.0499
Echinococcus multilocularis neuropeptide receptor 0.0034 0.0137 0.0105
Brugia malayi Melatonin receptor type 1A 0.0034 0.0137 0.0499
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0034 0.0137 0.0105
Onchocerca volvulus Neuropeptide F receptor homolog 0.0034 0.0137 1
Echinococcus multilocularis ubiquinone biosynthesis monooxygenase COQ6 0.0671 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0034 0.0137 0.0105
Echinococcus granulosus rhodopsin orphan GPCR 0.0034 0.0137 0.0105
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0034 0.0137 0.0105
Onchocerca volvulus 0.0034 0.0137 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.0137 0.0105
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0034 0.0137 0.0105
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0034 0.0137 0.0105
Echinococcus multilocularis orexin receptor type 2 0.0034 0.0137 0.0105
Echinococcus granulosus g-protein coupled receptor 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Echinococcus granulosus rhodopsin orphan GPCR 0.0034 0.0137 0.0105
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0034 0.0137 0.0105
Schistosoma mansoni neuropeptide f receptor 76f 0.0034 0.0137 0.0105
Schistosoma mansoni opsin-like receptor 0.0034 0.0137 0.0105
Brugia malayi larval opioid receptor 0.0034 0.0137 0.0499
Echinococcus multilocularis acetylcholinesterase 0.0164 0.214 0.2115
Echinococcus granulosus ubiquinone biosynthesis monooxygenase COQ6 0.0671 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0034 0.0137 0.0105
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0034 0.0137 0.0105
Echinococcus granulosus fmrfamide receptor 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0034 0.0137 0.0105
Trichomonas vaginalis CMGC family protein kinase 0.0029 0.0052 0.0121
Brugia malayi G protein-coupled receptor 0.0034 0.0137 0.0499
Trichomonas vaginalis aldehyde oxidase, putative 0.0134 0.1682 1
Schistosoma mansoni neuropeptide F-like receptor 0.0034 0.0137 0.0105
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0034 0.0137 0.0105
Brugia malayi putative neuropeptide receptor 0.0034 0.0137 0.0499
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Echinococcus multilocularis dro:myosuppressin receptor 0.0034 0.0137 0.0105
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0034 0.0137 0.0499
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.0063 0.0583 0.0583
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Mycobacterium tuberculosis Possible oxidoreductase 0.0671 1 1
Echinococcus multilocularis g protein coupled receptor 0.0034 0.0137 0.0105
Mycobacterium tuberculosis Possible oxidoreductase 0.0671 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.0034 0.0137 0.0105
Schistosoma mansoni myosin xvIII 0.0034 0.0137 0.0105
Onchocerca volvulus 0.0034 0.0137 1
Loa Loa (eye worm) hypothetical protein 0.0164 0.214 0.2115
Loa Loa (eye worm) acetylcholinesterase 1 0.0164 0.214 0.2115
Brugia malayi RE15519p 0.0034 0.0137 0.0499
Loa Loa (eye worm) G-protein coupled receptor 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Schistosoma mansoni neuropeptide receptor 0.0034 0.0137 0.0105
Schistosoma mansoni growth hormone secretagogue receptor 0.0034 0.0137 0.0105
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0034 0.0137 0.0105
Schistosoma mansoni biogenic amine (5HT) receptor 0.0034 0.0137 0.0105
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0034 0.0137 0.0105
Onchocerca volvulus 0.0034 0.0137 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0034 0.0137 0.0105
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0034 0.0137 0.0105
Echinococcus granulosus neuropeptide FF receptor 2 0.0034 0.0137 0.0105
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0034 0.0137 0.0105
Echinococcus multilocularis g protein coupled receptor 0.0034 0.0137 0.0105
Schistosoma mansoni biogenic amine receptor 0.0034 0.0137 0.0105
Mycobacterium ulcerans carboxylesterase, LipT 0.0028 0.0032 0.0032
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0034 0.0137 0.0105
Brugia malayi Carboxylesterase family protein 0.0164 0.214 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0034 0.0137 0.0105
Echinococcus granulosus orexin receptor type 2 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Echinococcus granulosus neuropeptide Y receptor 0.0034 0.0137 0.0105
Echinococcus granulosus carboxylesterase 5A 0.0164 0.214 0.2115
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0034 0.0137 0.0105
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0134 0.1682 1
Schistosoma mansoni biogenic amine receptor 0.0034 0.0137 0.0105
Schistosoma mansoni neuropeptide receptor 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Onchocerca volvulus 0.0034 0.0137 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0034 0.0137 0.0105
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0034 0.0137 0.0499
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.004 0.0219 0.0219
Onchocerca volvulus 0.0029 0.0052 0.1891
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Echinococcus multilocularis serotonin receptor 0.0034 0.0137 0.0105
Trypanosoma brucei Monooxygenase, putative 0.0671 1 1
Onchocerca volvulus 0.0034 0.0137 1
Onchocerca volvulus 0.0034 0.0137 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Brugia malayi Dopamine receptor protein 1 0.0034 0.0137 0.0499
Schistosoma mansoni adenoreceptor 0.0034 0.0137 0.0105
Brugia malayi hypothetical protein 0.0034 0.0137 0.0499
Echinococcus granulosus somatostatin receptor 0.0034 0.0137 0.0105
Schistosoma mansoni histamine h1 receptor 0.0034 0.0137 0.0105
Brugia malayi hypothetical protein 0.0034 0.0137 0.0499
Schistosoma mansoni hypothetical protein 0.0034 0.0137 0.0105
Echinococcus multilocularis G protein coupled receptor 139 0.0034 0.0137 0.0105
Schistosoma mansoni hypothetical protein 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0032 0.0095 0.0063
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Echinococcus multilocularis g-protein coupled receptor 0.0034 0.0137 0.0105
Onchocerca volvulus 0.0034 0.0137 1
Loa Loa (eye worm) neuropeptide F receptor 0.0034 0.0137 0.0105
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.0063 0.0583 0.0583
Echinococcus granulosus neuropeptides capa receptor 0.0034 0.0137 0.0105
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0134 0.1682 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0032 0.0095 0.0063
Echinococcus granulosus rhodopsin orphan GPCR 0.0034 0.0137 0.0105
Onchocerca volvulus 0.0034 0.0137 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0034 0.0137 0.0105
Entamoeba histolytica protein kinase domain containing protein 0.0029 0.0052 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0032 0.0095 0.0063
Mycobacterium ulcerans oxidoreductase 0.0671 1 1
Mycobacterium ulcerans FAD-linked oxidoreductase 0.0671 1 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0034 0.0137 0.0105
Brugia malayi Dopamine receptor protein 2 0.0034 0.0137 0.0499
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Echinococcus granulosus acetylcholinesterase 0.0164 0.214 0.2115
Brugia malayi follicle stimulating hormone receptor 0.0034 0.0137 0.0499
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0034 0.0137 0.0499
Onchocerca volvulus 0.0034 0.0137 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0028 0.0032 0.0032
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.0137 0.0105
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.0137 0.0105
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0034 0.0137 0.0105
Echinococcus granulosus neuropeptide receptor 0.0034 0.0137 0.0105
Echinococcus multilocularis acetylcholinesterase 0.0164 0.214 0.2115
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.0137 0.0105
Schistosoma mansoni neuropeptide receptor 0.0034 0.0137 0.0105
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0034 0.0137 0.0499
Loa Loa (eye worm) TYRA-2 protein 0.0034 0.0137 0.0105
Brugia malayi Tachykinin-like peptides receptor 99D 0.0034 0.0137 0.0499
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0034 0.0137 0.0105
Echinococcus multilocularis neuropeptide receptor 0.0034 0.0137 0.0105
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.0045 0.0305 0.0305
Mycobacterium leprae possibleputative FAD-linked oxidoreductase 0.0671 1 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Onchocerca volvulus 0.0034 0.0137 1
Schistosoma mansoni neuropeptide F-like receptor 0.0034 0.0137 0.0105
Echinococcus granulosus neuropeptide receptor 0.0034 0.0137 0.0105
Wolbachia endosymbiont of Brugia malayi 2-polyprenyl-6-methoxyphenol 4-hydroxylase 0.0671 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.0137 0.0105
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0032 0.0095 0.0063
Onchocerca volvulus 0.0034 0.0137 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Echinococcus granulosus tachykinin peptides receptor 99D 0.0034 0.0137 0.0105
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0034 0.0137 0.0105
Loa Loa (eye worm) G-protein coupled receptor 0.0034 0.0137 0.0105
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.0137 0.0105
Schistosoma mansoni hypothetical protein 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Echinococcus granulosus G protein coupled receptor 139 0.0034 0.0137 0.0105
Brugia malayi putative neuropeptide receptor NPR1 0.0034 0.0137 0.0499
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.0137 0.0105
Loa Loa (eye worm) carboxylesterase 0.0164 0.214 0.2115
Echinococcus granulosus rhodopsin orphan GPCR 0.0034 0.0137 0.0105
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.0137 0.0105
Echinococcus multilocularis fmrfamide receptor 0.0034 0.0137 0.0105
Mycobacterium ulcerans oxidoreductase 0.0671 1 1
Trypanosoma brucei kynurenine 3-monooxygenase, putative 0.0671 1 1
Schistosoma mansoni amine GPCR 0.0034 0.0137 0.0105
Brugia malayi G-protein coupled receptor 0.0034 0.0137 0.0499
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.0137 0.0105
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Echinococcus multilocularis protein MICAL 3 0.0671 1 1
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0063 0.0583 0.0583
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0029 0.0052 0.002
Echinococcus granulosus rhodopsin orphan GPCR 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Leishmania major hypothetical protein, conserved 0.0671 1 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Brugia malayi hypothetical protein 0.0034 0.0137 0.0499
Echinococcus granulosus neuropeptides capa receptor 0.0034 0.0137 0.0105
Echinococcus multilocularis allatostatin A receptor 0.0034 0.0137 0.0105
Brugia malayi Dopamine receptor 0.0034 0.0137 0.0499
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Schistosoma mansoni opsin-like receptor 0.0034 0.0137 0.0105
Echinococcus granulosus g protein coupled receptor 0.0034 0.0137 0.0105
Brugia malayi Carboxylesterase family protein 0.0164 0.214 1
Mycobacterium ulcerans oxidoreductase GMC-type 0.0671 1 1
Entamoeba histolytica protein kinase domain containing protein 0.0029 0.0052 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0034 0.0137 0.0105
Leishmania major hypothetical protein, conserved 0.0671 1 1
Echinococcus granulosus protein kinase shaggy 0.0029 0.0052 0.002
Echinococcus granulosus allatostatin A receptor 0.0034 0.0137 0.0105
Echinococcus granulosus tm gpcr rhodopsin 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0164 0.214 0.2115
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0029 0.0052 0.002
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0034 0.0137 0.0105
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0034 0.0137 0.0105
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.0089 0.098 0.098
Echinococcus multilocularis neuropeptide FF receptor 2 0.0034 0.0137 0.0105
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.0137 0.0105
Onchocerca volvulus 0.0034 0.0137 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.0137 0.0105
Echinococcus granulosus tm gpcr rhodopsin 0.0034 0.0137 0.0105
Brugia malayi ORL1-like opioid receptor 0.0034 0.0137 0.0499
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0671 1 1
Brugia malayi hypothetical protein 0.0034 0.0137 0.0499
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0034 0.0137 0.0105
Echinococcus multilocularis serotonin receptor 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0032 0.0095 0.0063
Plasmodium vivax FAD-dependent monooxygenase, putative 0.0671 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0034 0.0137 0.0105
Onchocerca volvulus 0.0034 0.0137 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Onchocerca volvulus 0.0034 0.0137 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0032 0.0095 0.0063
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Mycobacterium ulcerans membrane-associated oxidoreductase 0.0671 1 1
Brugia malayi hypothetical protein 0.0034 0.0137 0.0499
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0034 0.0137 0.0105
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0034 0.0137 0.0105
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0028 0.0032 0.0032
Mycobacterium ulcerans hypothetical protein 0.0671 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0034 0.0137 0.0105
Echinococcus multilocularis neuropeptide Y receptor 0.0034 0.0137 0.0105
Echinococcus multilocularis G-protein coupled receptor, putative 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Echinococcus granulosus serotonin receptor 0.0034 0.0137 0.0105
Echinococcus granulosus 7TM GPCR rhodopsin 0.0034 0.0137 0.0105
Plasmodium falciparum FAD-dependent monooxygenase, putative 0.0671 1 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0028 0.0032 0.0032
Echinococcus multilocularis somatostatin receptor 0.0034 0.0137 0.0105
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0034 0.0137 0.0105
Mycobacterium tuberculosis Probable oxidoreductase 0.0671 1 1
Schistosoma mansoni amine GPCR 0.0034 0.0137 0.0105
Brugia malayi neuropeptide F receptor 0.0034 0.0137 0.0499
Echinococcus granulosus hypothetical protein 0.0034 0.0137 0.0105
Mycobacterium tuberculosis Possible oxidoreductase 0.0671 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0032 0.0095 0.0063
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (medium chain) 0.0045 0.0305 0.0305
Schistosoma mansoni monoxygenase 0.0671 1 1
Brugia malayi sulfakinin receptor protein 0.0034 0.0137 0.0499
Mycobacterium ulcerans hypothetical protein 0.0671 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Echinococcus multilocularis neuropeptides capa receptor 0.0034 0.0137 0.0105
Brugia malayi AKH receptor 0.0034 0.0137 0.0499
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0029 0.0052 0.002
Schistosoma mansoni opsin-like receptor 0.0034 0.0137 0.0105
Echinococcus granulosus sex peptide receptor 0.0034 0.0137 0.0105
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0164 0.214 0.2115
Brugia malayi intracellular kinase 0.0029 0.0052 0.0094
Trichomonas vaginalis CMGC family protein kinase 0.0029 0.0052 0.0121
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Brugia malayi hypothetical protein 0.0034 0.0137 0.0499
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0034 0.0137 0.0105
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0034 0.0137 0.0105
Schistosoma mansoni amine GPCR 0.0034 0.0137 0.0105
Echinococcus granulosus g protein coupled receptor 0.0034 0.0137 0.0105
Entamoeba histolytica protein kinase, putative 0.0029 0.0052 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0034 0.0137 0.0105
Schistosoma mansoni hypothetical protein 0.0034 0.0137 0.0105
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0034 0.0137 0.0105
Onchocerca volvulus 0.0034 0.0137 1
Toxoplasma gondii FAD binding domain-containing protein 0.0671 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.0137 0.0105
Echinococcus multilocularis neuropeptide Y receptor 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Echinococcus granulosus neuropeptide s receptor 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Echinococcus multilocularis neuropeptides capa receptor 0.0034 0.0137 0.0105
Schistosoma mansoni biogenic amine receptor 0.0034 0.0137 0.0105
Toxoplasma gondii FAD binding domain-containing protein 0.0671 1 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0034 0.0137 0.0105
Schistosoma mansoni biogenic amine (5HT) receptor 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Mycobacterium ulcerans hypothetical protein 0.0671 1 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0034 0.0137 0.0105
Giardia lamblia Kinase, CMGC GSK 0.0029 0.0052 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0034 0.0137 0.0105
Trypanosoma cruzi Monooxygenase, putative 0.0671 1 1
Onchocerca volvulus 0.0034 0.0137 1
Schistosoma mansoni hypothetical protein 0.0671 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0034 0.0137 0.0105
Echinococcus granulosus biogenic amine 5HT receptor 0.0034 0.0137 0.0105
Giardia lamblia Kinase, CMGC GSK 0.0029 0.0052 0.5
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0034 0.0137 0.0105
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0034 0.0137 1
Brugia malayi hypothetical protein 0.0034 0.0137 0.0499
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Schistosoma mansoni neuropeptide receptor 0.0034 0.0137 0.0105
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0029 0.0052 0.002
Brugia malayi hypothetical protein 0.0034 0.0137 0.0499
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0032 0.0095 0.03
Brugia malayi neuropeptide F receptor 0.0034 0.0137 0.0499
Brugia malayi G-protein coupled receptor 0.0034 0.0137 0.0499
Echinococcus granulosus g protein coupled receptor 0.0034 0.0137 0.0105
Trypanosoma cruzi hypothetical protein, conserved 0.0671 1 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0034 0.0137 0.0105
Schistosoma mansoni amine GPCR 0.0034 0.0137 0.0105
Echinococcus multilocularis g protein coupled receptor 0.0034 0.0137 0.0105
Brugia malayi hypothetical protein 0.0034 0.0137 0.0499
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Brugia malayi hypothetical protein 0.0034 0.0137 0.0499
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0032 0.0095 0.0063
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0029 0.0052 0.002
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0034 0.0137 0.0499
Echinococcus granulosus acetylcholinesterase 0.0164 0.214 0.2115
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.0137 0.0105
Loa Loa (eye worm) neuropeptide F receptor 0.0034 0.0137 0.0105
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Echinococcus multilocularis fmrfamide receptor 0.0034 0.0137 0.0105
Plasmodium vivax hypothetical protein, conserved 0.0671 1 1
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.0045 0.0305 0.0305
Echinococcus granulosus neuropeptide receptor A26 0.0034 0.0137 0.0105
Mycobacterium tuberculosis Probable oxidoreductase 0.0671 1 1
Brugia malayi Serotonin receptor 0.0034 0.0137 0.0499
Brugia malayi Serotonin receptor 0.0034 0.0137 0.0499
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Echinococcus granulosus rhodopsin orphan GPCR 0.0034 0.0137 0.0105
Onchocerca volvulus 0.0034 0.0137 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Mycobacterium ulcerans FAD-dependent oxidoreductase 0.0671 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0105
Echinococcus multilocularis carboxylesterase 5A 0.0164 0.214 0.2115
Echinococcus granulosus alpha 1A adrenergic receptor 0.0034 0.0137 0.0105
Echinococcus granulosus protein MICAL 3 0.0671 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.0137 0.0105
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0034 0.0137 0.0105
Echinococcus multilocularis protein kinase shaggy 0.0029 0.0052 0.002
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.0137 0.0105
Echinococcus multilocularis sex peptide receptor 0.0034 0.0137 0.0105

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 37 nM Inhibition of rat acetylcholinesterase (AChE) ChEMBL. 9767635
IC50 (binding) = 37 nM Inhibition of rat acetylcholinesterase (AChE) ChEMBL. 9767635
IC50 (binding) = 37 nM Inhibition of AChE ChEMBL. 20053484

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

2 literature references were collected for this gene.

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