Detailed information for compound 30971

Basic information

Technical information
  • TDR Targets ID: 30971
  • Name: 4-[[4-[[2-[5-amino-2-(3-methylphenyl)-6-oxopy rimidin-1-yl]acetyl]amino]-2,2-difluoro-3-oxo -5-phenylpentanoyl]amino]benzoic acid
  • MW: 603.573 | Formula: C31H27F2N5O6
  • H donors: 4 H acceptors: 6 LogP: 3.92 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cc1cccc(c1)c1ncc(c(=O)n1CC(=O)NC(C(=O)C(C(=O)Nc1ccc(cc1)C(=O)O)(F)F)Cc1ccccc1)N
  • InChi: 1S/C31H27F2N5O6/c1-18-6-5-9-21(14-18)27-35-16-23(34)28(41)38(27)17-25(39)37-24(15-19-7-3-2-4-8-19)26(40)31(32,33)30(44)36-22-12-10-20(11-13-22)29(42)43/h2-14,16,24H,15,17,34H2,1H3,(H,36,44)(H,37,39)(H,42,43)
  • InChiKey: GHWYBKPVWOOAPL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[4-[[2-[5-amino-2-(m-tolyl)-6-oxo-pyrimidin-1-yl]acetyl]amino]-2,2-difluoro-3-oxo-5-phenyl-pentanoyl]amino]benzoic acid
  • 4-[[4-[[2-[5-amino-2-(m-tolyl)-6-oxo-1-pyrimidinyl]-1-oxoethyl]amino]-2,2-difluoro-1,3-dioxo-5-phenylpentyl]amino]benzoic acid
  • 4-[[4-[2-[5-azanyl-2-(3-methylphenyl)-6-oxo-pyrimidin-1-yl]ethanoylamino]-2,2-difluoro-3-oxo-5-phenyl-pentanoyl]amino]benzoic acid
  • 4-[[4-[[2-[5-amino-6-keto-2-(m-tolyl)pyrimidin-1-yl]acetyl]amino]-2,2-difluoro-3-keto-5-phenyl-pentanoyl]amino]benzoic acid
  • 4-[[4-[[2-[5-amino-2-(3-methylphenyl)-6-oxo-pyrimidin-1-yl]acetyl]amino]-2,2-difluoro-3-oxo-5-phenyl-pentanoyl]amino]benzoic acid
  • 4-[[4-[[2-[5-amino-2-(3-methylphenyl)-6-oxo-1-pyrimidinyl]-1-oxoethyl]amino]-2,2-difluoro-1,3-dioxo-5-phenylpentyl]amino]benzoic acid
  • 4-[[4-[[2-[5-amino-6-keto-2-(3-methylphenyl)pyrimidin-1-yl]acetyl]amino]-2,2-difluoro-3-keto-5-phenyl-pentanoyl]amino]benzoic acid
  • 4-[[4-[2-[5-amino-2-(3-methylphenyl)-6-oxo-pyrimidin-1-yl]ethanoylamino]-2,2-difluoro-3-oxo-5-phenyl-pentanoyl]amino]benzoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chymotrypsin C (caldecrin) Starlite/ChEMBL References
Homo sapiens chymase 1, mast cell 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
Brugia malayi Trypsin family protein chymotrypsin C (caldecrin) 268 aa 236 aa 21.6 %
Brugia malayi Trypsin family protein chymase 1, mast cell 247 aa 295 aa 24.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis rhodopsin orphan GPCR 0.0058 0.0435 1
Echinococcus multilocularis g protein coupled receptor 0.0058 0.0435 1
Brugia malayi G-protein coupled receptor 0.0058 0.0435 0.0446
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Echinococcus multilocularis somatostatin receptor 0.0058 0.0435 1
Echinococcus granulosus hypothetical protein 0.0058 0.0435 1
Echinococcus multilocularis neuropeptide s receptor 0.0058 0.0435 1
Echinococcus granulosus neuropeptide receptor 0.0058 0.0435 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0058 0.0435 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0058 0.0435 1
Echinococcus granulosus neuropeptides capa receptor 0.0058 0.0435 1
Echinococcus multilocularis g protein coupled receptor 0.0058 0.0435 1
Onchocerca volvulus 0.0058 0.0435 0.0435
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0058 0.0435 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Onchocerca volvulus 0.0058 0.0435 0.0435
Echinococcus granulosus tachykinin peptides receptor 99D 0.0058 0.0435 1
Brugia malayi GnHR receptor homolog 0.0058 0.0435 0.0446
Brugia malayi hypothetical protein 0.0058 0.0435 0.0446
Brugia malayi putative neuropeptide receptor NPR1 0.0058 0.0435 0.0446
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Onchocerca volvulus 0.0058 0.0435 0.0435
Echinococcus granulosus neuropeptide Y receptor 0.0058 0.0435 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0058 0.0435 1
Echinococcus multilocularis neuropeptides capa receptor 0.0058 0.0435 1
Schistosoma mansoni amine GPCR 0.0058 0.0435 1
Echinococcus granulosus g protein coupled receptor 0.0058 0.0435 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0058 0.0435 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0058 0.0435 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0058 0.0435 0.0446
Schistosoma mansoni growth hormone secretagogue receptor 0.0058 0.0435 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Echinococcus multilocularis neuropeptide receptor A26 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Schistosoma mansoni neuropeptide receptor 0.0058 0.0435 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0058 0.0435 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0058 0.0435 1
Schistosoma mansoni biogenic amine receptor 0.0058 0.0435 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0058 0.0435 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0058 0.0435 1
Brugia malayi Serotonin receptor 0.0058 0.0435 0.0446
Brugia malayi Dopamine receptor protein 2 0.0058 0.0435 0.0446
Onchocerca volvulus Neuropeptide F receptor homolog 0.0058 0.0435 0.0435
Echinococcus granulosus alpha 1A adrenergic receptor 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0058 0.0435 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0058 0.0435 1
Echinococcus granulosus somatostatin receptor 0.0058 0.0435 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0648 0.9749 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Onchocerca volvulus 0.0058 0.0435 0.0435
Echinococcus granulosus g protein coupled receptor 0.0058 0.0435 1
Echinococcus multilocularis g protein coupled receptor 0.0058 0.0435 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0058 0.0435 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0058 0.0435 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0058 0.0435 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Schistosoma mansoni opsin-like receptor 0.0058 0.0435 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0058 0.0435 0.0446
Brugia malayi G protein-coupled receptor 0.0058 0.0435 0.0446
Schistosoma mansoni alpha-1 adrenergic receptor 0.0058 0.0435 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0058 0.0435 1
Schistosoma mansoni hypothetical protein 0.0058 0.0435 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0058 0.0435 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0058 0.0435 1
Echinococcus granulosus orexin receptor type 2 0.0058 0.0435 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0058 0.0435 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0058 0.0435 1
Schistosoma mansoni neuropeptide F-like receptor 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Echinococcus granulosus rhodopsin orphan GPCR 0.0058 0.0435 1
Onchocerca volvulus 0.0058 0.0435 0.0435
Echinococcus multilocularis neuropeptide FF receptor 2 0.0058 0.0435 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0058 0.0435 1
Echinococcus multilocularis neuropeptide receptor 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Brugia malayi hypothetical protein 0.0058 0.0435 0.0446
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0058 0.0435 1
Echinococcus multilocularis neuropeptide receptor 0.0058 0.0435 1
Schistosoma mansoni adenoreceptor 0.0058 0.0435 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0058 0.0435 1
Echinococcus granulosus fmrfamide receptor 0.0058 0.0435 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Schistosoma mansoni amine GPCR 0.0058 0.0435 1
Loa Loa (eye worm) TYRA-2 protein 0.0058 0.0435 0.0446
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Echinococcus granulosus tm gpcr rhodopsin 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0058 0.0435 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0058 0.0435 1
Schistosoma mansoni amine GPCR 0.0058 0.0435 1
Brugia malayi neuropeptide F receptor 0.0058 0.0435 0.0446
Brugia malayi hypothetical protein 0.0058 0.0435 0.0446
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0058 0.0435 0.0446
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Echinococcus granulosus tm gpcr rhodopsin 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0058 0.0435 1
Schistosoma mansoni amine GPCR 0.0058 0.0435 1
Schistosoma mansoni biogenic amine receptor 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0058 0.0435 1
Onchocerca volvulus 0.0058 0.0435 0.0435
Echinococcus granulosus g-protein coupled receptor 0.0058 0.0435 1
Brugia malayi Serotonin receptor 0.0058 0.0435 0.0446
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Echinococcus granulosus rhodopsin orphan GPCR 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Onchocerca volvulus 0.0058 0.0435 0.0435
Echinococcus multilocularis neuropeptide Y receptor 0.0058 0.0435 1
Onchocerca volvulus 0.0058 0.0435 0.0435
Schistosoma mansoni neuropeptide F-like receptor 0.0058 0.0435 1
Schistosoma mansoni hypothetical protein 0.0058 0.0435 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0058 0.0435 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0058 0.0435 0.0446
Echinococcus multilocularis sex peptide receptor 0.0058 0.0435 1
Brugia malayi hypothetical protein 0.0058 0.0435 0.0446
Schistosoma mansoni opsin-like receptor 0.0058 0.0435 1
Brugia malayi follicle stimulating hormone receptor 0.0058 0.0435 0.0446
Brugia malayi hypothetical protein 0.0058 0.0435 0.0446
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Echinococcus multilocularis G protein coupled receptor 139 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Schistosoma mansoni neuropeptide receptor 0.0058 0.0435 1
Onchocerca volvulus 0.0058 0.0435 0.0435
Echinococcus granulosus neuropeptide Y receptor 0.0058 0.0435 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0058 0.0435 0.0446
Onchocerca volvulus 0.0058 0.0435 0.0435
Onchocerca volvulus 0.0058 0.0435 0.0435
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0058 0.0435 1
Echinococcus multilocularis fmrfamide receptor 0.0058 0.0435 1
Echinococcus granulosus g protein coupled receptor 0.0058 0.0435 1
Echinococcus granulosus sex peptide receptor 0.0058 0.0435 1
Onchocerca volvulus 0.0058 0.0435 0.0435
Schistosoma mansoni myosin xvIII 0.0058 0.0435 1
Echinococcus granulosus dro:myosuppressin receptor 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Echinococcus multilocularis orexin receptor type 2 0.0058 0.0435 1
Brugia malayi Dopamine receptor 0.0058 0.0435 0.0446
Brugia malayi RE15519p 0.0058 0.0435 0.0446
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0058 0.0435 0.0446
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Echinococcus granulosus neuropeptides capa receptor 0.0058 0.0435 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0058 0.0435 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0058 0.0435 1
Echinococcus granulosus G protein coupled receptor 139 0.0058 0.0435 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0058 0.0435 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0058 0.0435 1
Schistosoma mansoni opsin-like receptor 0.0058 0.0435 1
Echinococcus multilocularis neuropeptides capa receptor 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Brugia malayi Dopamine receptor protein 1 0.0058 0.0435 0.0446
Brugia malayi putative neuropeptide receptor 0.0058 0.0435 0.0446
Echinococcus granulosus biogenic amine 5HT receptor 0.0058 0.0435 1
Onchocerca volvulus 0.0058 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Echinococcus granulosus rhodopsin orphan GPCR 0.0058 0.0435 1
Brugia malayi AKH receptor 0.0058 0.0435 0.0446
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0058 0.0435 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0058 0.0435 0.0446
Schistosoma mansoni neuropeptide receptor 0.0058 0.0435 1
Brugia malayi hypothetical protein 0.0058 0.0435 0.0446
Echinococcus multilocularis fmrfamide receptor 0.0058 0.0435 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0058 0.0435 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0058 0.0435 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0058 0.0435 1
Brugia malayi nuclear hormone receptor 0.0648 0.9749 1
Echinococcus granulosus tm gpcr rhodopsin 0.0058 0.0435 1
Echinococcus multilocularis serotonin receptor 0.0058 0.0435 1
Schistosoma mansoni biogenic amine receptor 0.0058 0.0435 1
Echinococcus granulosus neuropeptide s receptor 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0058 0.0435 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0058 0.0435 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0058 0.0435 1
Loa Loa (eye worm) neuropeptide F receptor 0.0058 0.0435 0.0446
Brugia malayi hypothetical protein 0.0058 0.0435 0.0446
Echinococcus granulosus rhodopsin orphan GPCR 0.0058 0.0435 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0058 0.0435 1
Schistosoma mansoni histamine h1 receptor 0.0058 0.0435 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0058 0.0435 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0058 0.0435 0.0446
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0058 0.0435 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Echinococcus granulosus allatostatin A receptor 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0058 0.0435 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0058 0.0435 0.0446
Brugia malayi hypothetical protein 0.0058 0.0435 0.0446
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0058 0.0435 1
Brugia malayi ORL1-like opioid receptor 0.0058 0.0435 0.0446
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0058 0.0435 0.0446
Brugia malayi neuropeptide F receptor 0.0058 0.0435 0.0446
Brugia malayi G protein-coupled receptor F59B2.13 0.0058 0.0435 0.0446
Brugia malayi hypothetical protein 0.0058 0.0435 0.0446
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0058 0.0435 0.0446
Onchocerca volvulus 0.0058 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.0633 0.9524 0.977
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0058 0.0435 0.0446
Schistosoma mansoni neuropeptide receptor 0.0058 0.0435 1
Brugia malayi hypothetical protein 0.0058 0.0435 0.0446
Brugia malayi G-protein coupled receptor 0.0058 0.0435 0.0446
Onchocerca volvulus 0.0058 0.0435 0.0435
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0058 0.0435 1
Echinococcus multilocularis serotonin receptor 0.0058 0.0435 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0058 0.0435 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0058 0.0435 1
Loa Loa (eye worm) G-protein coupled receptor 0.0058 0.0435 0.0446
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Echinococcus multilocularis g-protein coupled receptor 0.0058 0.0435 1
Onchocerca volvulus 0.0058 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Onchocerca volvulus 0.0058 0.0435 0.0435
Echinococcus multilocularis rhodopsin orphan GPCR 0.0058 0.0435 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0058 0.0435 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Echinococcus multilocularis allatostatin A receptor 0.0058 0.0435 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0058 0.0435 0.0435
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0058 0.0435 1
Brugia malayi Melatonin receptor type 1A 0.0058 0.0435 0.0446
Schistosoma mansoni hypothetical protein 0.0058 0.0435 1
Schistosoma mansoni hypothetical protein 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Echinococcus granulosus neuropeptide receptor 0.0058 0.0435 1
Loa Loa (eye worm) neuropeptide F receptor 0.0058 0.0435 0.0446
Loa Loa (eye worm) G-protein coupled receptor 0.0058 0.0435 0.0446
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0058 0.0435 1
Echinococcus granulosus neuropeptide receptor A26 0.0058 0.0435 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0058 0.0435 1
Brugia malayi larval opioid receptor 0.0058 0.0435 0.0446
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Echinococcus granulosus serotonin receptor 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Schistosoma mansoni amine GPCR 0.0058 0.0435 1
Brugia malayi sulfakinin receptor protein 0.0058 0.0435 0.0446
Echinococcus multilocularis neuropeptide Y receptor 0.0058 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0446
Echinococcus granulosus biogenic amine 5HT receptor 0.0058 0.0435 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 16.6 nM In vitro inhibitory activity was determined against human heart chymase ChEMBL. 11312928
Ki (binding) = 16.6 nM In vitro inhibitory activity was determined against human heart chymase ChEMBL. 11312928
Ki (binding) = 282 nM In vitro inhibitory activity was determined against bovine pancreas chymotrypsin ChEMBL. 11312928
Ki (binding) = 282 nM In vitro inhibitory activity was determined against bovine pancreas chymotrypsin ChEMBL. 11312928
Selectivity (binding) = 17 The selectivity was determined for chymotrypsin to that of chymase ChEMBL. 11312928

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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