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

Hover on a compound node to display the structore

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