Detailed information for compound 439399

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 431.439 | Formula: C21H25N3O7
  • H donors: 2 H acceptors: 5 LogP: 1.07 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)CNC(=O)[C@@H](NC(=O)OCc1ccccc1)CCCCN1C(=O)C=CC1=O
  • InChi: 1S/C21H25N3O7/c1-30-19(27)13-22-20(28)16(9-5-6-12-24-17(25)10-11-18(24)26)23-21(29)31-14-15-7-3-2-4-8-15/h2-4,7-8,10-11,16H,5-6,9,12-14H2,1H3,(H,22,28)(H,23,29)/t16-/m0/s1
  • InChiKey: DLCDKDTXCGDAAT-INIZCTEOSA-N  

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
Onchocerca volvulus 0.001 0.9825 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.001 0.9825 0.5
Brugia malayi G protein-coupled receptor F59B2.13 0.001 0.9825 0.5
Onchocerca volvulus 0.001 0.9825 0.5
Schistosoma mansoni opsin-like receptor 0.001 0.9825 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.001 0.9825 0.5
Echinococcus granulosus serotonin receptor 0.001 0.9825 0.5
Schistosoma mansoni histamine h1 receptor 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.001 0.9825 0.5
Echinococcus multilocularis g protein coupled receptor 0.001 0.9825 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.001 0.9825 0.5
Echinococcus granulosus fmrfamide receptor 0.001 0.9825 0.5
Brugia malayi neuropeptide F receptor 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Echinococcus granulosus G protein coupled receptor 139 0.001 0.9825 0.5
Echinococcus granulosus neuropeptide receptor 0.001 0.9825 0.5
Schistosoma mansoni adenoreceptor 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Echinococcus multilocularis neuropeptide receptor 0.001 0.9825 0.5
Brugia malayi G-protein coupled receptor 0.001 0.9825 0.5
Schistosoma mansoni neuropeptide receptor 0.001 0.9825 0.5
Echinococcus multilocularis neuropeptide s receptor 0.001 0.9825 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.001 0.9825 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.001 0.9825 0.5
Onchocerca volvulus 0.001 0.9825 0.5
Echinococcus granulosus allatostatin A receptor 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.001 0.9825 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.001 0.9825 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.001 0.9825 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.001 0.9825 0.5
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.001 0.9825 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.001 0.9825 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.001 0.9825 0.5
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.001 0.9825 0.5
Brugia malayi hypothetical protein 0.001 0.9825 0.5
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Brugia malayi AKH receptor 0.001 0.9825 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.001 0.9825 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.001 0.9825 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.001 0.9825 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.001 0.9825 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.001 0.9825 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.001 0.9825 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.001 0.9825 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Echinococcus multilocularis fmrfamide receptor 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.001 0.9825 0.5
Echinococcus granulosus orexin receptor type 2 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Brugia malayi Serotonin receptor 0.001 0.9825 0.5
Schistosoma mansoni neuropeptide receptor 0.001 0.9825 0.5
Brugia malayi hypothetical protein 0.001 0.9825 0.5
Echinococcus multilocularis allatostatin A receptor 0.001 0.9825 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Brugia malayi Dopamine receptor protein 2 0.001 0.9825 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.001 0.9825 0.5
Schistosoma mansoni amine GPCR 0.001 0.9825 0.5
Schistosoma mansoni neuropeptide receptor 0.001 0.9825 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.001 0.9825 0.5
Schistosoma mansoni biogenic amine receptor 0.001 0.9825 0.5
Loa Loa (eye worm) TYRA-2 protein 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Brugia malayi hypothetical protein 0.001 0.9825 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.001 0.9825 0.5
Echinococcus granulosus neuropeptide s receptor 0.001 0.9825 0.5
Schistosoma mansoni amine GPCR 0.001 0.9825 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.001 0.9825 0.5
Trypanosoma cruzi multicopper oxidase, putative 0.0002 0 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Brugia malayi follicle stimulating hormone receptor 0.001 0.9825 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.001 0.9825 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.001 0.9825 0.5
Echinococcus multilocularis neuropeptide receptor 0.001 0.9825 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.001 0.9825 0.5
Brugia malayi hypothetical protein 0.001 0.9825 0.5
Echinococcus granulosus neuropeptide Y receptor 0.001 0.9825 0.5
Schistosoma mansoni biogenic amine receptor 0.001 0.9825 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.001 0.9825 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.001 0.9825 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.001 0.9825 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.001 0.9825 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.001 0.9825 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.001 0.9825 0.5
Echinococcus granulosus g protein coupled receptor 0.001 0.9825 0.5
Brugia malayi G-protein coupled receptor 0.001 0.9825 0.5
Schistosoma mansoni amine GPCR 0.001 0.9825 0.5
Schistosoma mansoni hypothetical protein 0.001 0.9825 0.5
Onchocerca volvulus 0.001 0.9825 0.5
Echinococcus granulosus sex peptide receptor 0.001 0.9825 0.5
Echinococcus multilocularis serotonin receptor 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.001 0.9825 0.5
Brugia malayi Dopamine receptor 0.001 0.9825 0.5
Brugia malayi hypothetical protein 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Echinococcus granulosus neuropeptides capa receptor 0.001 0.9825 0.5
Onchocerca volvulus 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.001 0.9825 0.5
Brugia malayi ORL1-like opioid receptor 0.001 0.9825 0.5
Echinococcus multilocularis g-protein coupled receptor 0.001 0.9825 0.5
Brugia malayi GnHR receptor homolog 0.001 0.9825 0.5
Schistosoma mansoni neuropeptide receptor 0.001 0.9825 0.5
Onchocerca volvulus 0.001 0.9825 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.001 0.9825 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.001 0.9825 0.5
Echinococcus granulosus neuropeptide receptor A26 0.001 0.9825 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.001 0.9825 0.5
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.001 0.9825 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.001 0.9825 0.5
Brugia malayi putative neuropeptide receptor 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Onchocerca volvulus 0.001 0.9825 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.001 0.9825 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.001 0.9825 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.001 0.9825 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.001 0.9825 0.5
Brugia malayi RE15519p 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.001 0.9825 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.001 0.9825 0.5
Schistosoma mansoni hypothetical protein 0.001 0.9825 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.001 0.9825 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.001 0.9825 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.001 0.9825 0.5
Echinococcus multilocularis somatostatin receptor 0.001 0.9825 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.001 0.9825 0.5
Schistosoma mansoni opsin-like receptor 0.001 0.9825 0.5
Echinococcus granulosus neuropeptide receptor 0.001 0.9825 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.001 0.9825 0.5
Brugia malayi hypothetical protein 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Echinococcus granulosus somatostatin receptor 0.001 0.9825 0.5
Echinococcus granulosus g protein coupled receptor 0.001 0.9825 0.5
Brugia malayi Melatonin receptor type 1A 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Schistosoma mansoni amine GPCR 0.001 0.9825 0.5
Brugia malayi hypothetical protein 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Brugia malayi hypothetical protein 0.001 0.9825 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.001 0.9825 0.5
Echinococcus multilocularis sex peptide receptor 0.001 0.9825 0.5
Mycobacterium ulcerans oxidase 0.0011 1 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.001 0.9825 0.5
Brugia malayi putative neuropeptide receptor NPR1 0.001 0.9825 0.5
Echinococcus multilocularis orexin receptor type 2 0.001 0.9825 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0002 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.001 0.9825 0.5
Echinococcus granulosus hypothetical protein 0.001 0.9825 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.001 0.9825 0.5
Brugia malayi Serotonin receptor 0.001 0.9825 0.5
Brugia malayi hypothetical protein 0.001 0.9825 0.5
Brugia malayi Dopamine receptor protein 1 0.001 0.9825 0.5
Schistosoma mansoni amine GPCR 0.001 0.9825 0.5
Echinococcus granulosus g-protein coupled receptor 0.001 0.9825 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.001 0.9825 0.5
Echinococcus granulosus neuropeptides capa receptor 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Leishmania major hypothetical protein, conserved 0.0002 0 0.5
Echinococcus multilocularis serotonin receptor 0.001 0.9825 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.001 0.9825 0.5
Schistosoma mansoni hypothetical protein 0.001 0.9825 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.001 0.9825 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.001 0.9825 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.001 0.9825 0.5
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.001 0.9825 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.001 0.9825 0.5
Echinococcus multilocularis g protein coupled receptor 0.001 0.9825 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.001 0.9825 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.001 0.9825 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Onchocerca volvulus 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.001 0.9825 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.001 0.9825 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.001 0.9825 0.5
Onchocerca volvulus 0.001 0.9825 0.5
Brugia malayi larval opioid receptor 0.001 0.9825 0.5
Onchocerca volvulus 0.001 0.9825 0.5
Schistosoma mansoni alpha-1 adrenergic receptor 0.001 0.9825 0.5
Onchocerca volvulus 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.001 0.9825 0.5
Schistosoma mansoni biogenic amine receptor 0.001 0.9825 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.001 0.9825 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.001 0.9825 0.5
Echinococcus granulosus neuropeptide Y receptor 0.001 0.9825 0.5
Brugia malayi G protein-coupled receptor 0.001 0.9825 0.5
Loa Loa (eye worm) melatonin receptor type 1A 0.001 0.9825 0.5
Schistosoma mansoni opsin-like receptor 0.001 0.9825 0.5
Trypanosoma cruzi multicopper oxidase, putative 0.0002 0 0.5
Onchocerca volvulus 0.001 0.9825 0.5
Brugia malayi neuropeptide F receptor 0.001 0.9825 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.001 0.9825 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.001 0.9825 0.5
Onchocerca volvulus 0.001 0.9825 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.001 0.9825 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.001 0.9825 0.5
Brugia malayi sulfakinin receptor protein 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.001 0.9825 0.5
Echinococcus multilocularis g protein coupled receptor 0.001 0.9825 0.5
Onchocerca volvulus 0.001 0.9825 0.5
Echinococcus multilocularis fmrfamide receptor 0.001 0.9825 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.001 0.9825 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.001 0.9825 0.5
Brugia malayi hypothetical protein 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Schistosoma mansoni growth hormone secretagogue receptor 0.001 0.9825 0.5
Onchocerca volvulus 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5
Echinococcus granulosus g protein coupled receptor 0.001 0.9825 0.5
Trypanosoma brucei multicopper oxidase, putative 0.0002 0 0.5
Schistosoma mansoni myosin xvIII 0.001 0.9825 0.5
Schistosoma mansoni peptide (allatostatin)-like receptor 0.001 0.9825 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.001 0.9825 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.001 0.9825 0.5
Onchocerca volvulus 0.001 0.9825 0.5
Onchocerca volvulus 0.001 0.9825 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.001 0.9825 0.5
Schistosoma mansoni hypothetical protein 0.001 0.9825 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.001 0.9825 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.001 0.9825 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.9825 0.5

Activities

Activity type Activity value Assay description Source Reference
Ratio (binding) = 0.83 /mM/min Ratio of Kinactivation to KI of guinea pig recombinant liver TGase expressed in Escherichia coli ChEMBL. 17092716

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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