Detailed information for compound 1799395

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 449.542 | Formula: C26H31N3O4
  • H donors: 0 H acceptors: 2 LogP: 6.05 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO/N=C(\c1ccccc1COc1n(C)nc(c1C)c1ccc(cc1)C(C)(C)C)/C(=O)OC
  • InChi: 1S/C26H31N3O4/c1-17-22(18-12-14-20(15-13-18)26(2,3)4)27-29(5)24(17)33-16-19-10-8-9-11-21(19)23(28-32-7)25(30)31-6/h8-15H,16H2,1-7H3/b28-23+
  • InChiKey: NQQWRMDHXDBIHG-WEMUOSSPSA-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
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0122 1 1
Onchocerca volvulus 0.0122 1 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0122 1 1
Echinococcus granulosus orexin receptor type 2 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Schistosoma mansoni neuropeptide receptor 0.0122 1 1
Brugia malayi follicle stimulating hormone receptor 0.0122 1 1
Brugia malayi hypothetical protein 0.0122 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0122 1 1
Brugia malayi hypothetical protein 0.0122 1 1
Brugia malayi G protein-coupled receptor 0.0122 1 1
Brugia malayi AKH receptor 0.0122 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0122 1 1
Leishmania major inosine-5-monophosphate dehydrogenase 0.0079 0.4936 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0122 1 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0122 1 1
Brugia malayi Melatonin receptor type 1A 0.0122 1 1
Brugia malayi putative neuropeptide receptor NPR1 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Echinococcus granulosus neuropeptide s receptor 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0122 1 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0122 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0122 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0122 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0122 1 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0122 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.0122 1 1
Echinococcus multilocularis g protein coupled receptor 0.0122 1 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0122 1 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0122 1 1
Loa Loa (eye worm) TYRA-2 protein 0.0122 1 1
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0079 0.4936 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0122 1 1
Schistosoma mansoni amine GPCR 0.0122 1 1
Onchocerca volvulus 0.0122 1 0.5
Brugia malayi hypothetical protein 0.0122 1 1
Echinococcus granulosus G protein coupled receptor 139 0.0122 1 1
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0079 0.4936 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0122 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0122 1 1
Onchocerca volvulus 0.0122 1 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0122 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0122 1 1
Echinococcus granulosus g-protein coupled receptor 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Onchocerca volvulus 0.0122 1 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0122 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0122 1 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0122 1 1
Brugia malayi neuropeptide F receptor 0.0122 1 1
Onchocerca volvulus 0.0122 1 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0122 1 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0122 1 1
Toxoplasma gondii IMP dehydrogenas 0.0079 0.4936 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0122 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0122 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0122 1 1
Trypanosoma cruzi GMP reductase 0.0079 0.4936 0.5
Echinococcus multilocularis g protein coupled receptor 0.0122 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0122 1 1
Brugia malayi GnHR receptor homolog 0.0122 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0122 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0122 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0122 1 1
Brugia malayi G-protein coupled receptor 0.0122 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0122 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0122 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0122 1 1
Schistosoma mansoni histamine h1 receptor 0.0122 1 1
Brugia malayi Serotonin receptor 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0122 1 1
Schistosoma mansoni neuropeptide receptor 0.0122 1 1
Brugia malayi hypothetical protein 0.0122 1 1
Brugia malayi hypothetical protein 0.0122 1 1
Brugia malayi hypothetical protein 0.0122 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0122 1 1
Echinococcus granulosus serotonin receptor 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Schistosoma mansoni biogenic amine receptor 0.0122 1 1
Onchocerca volvulus 0.0122 1 0.5
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0122 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0122 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0122 1 1
Echinococcus multilocularis g-protein coupled receptor 0.0122 1 1
Brugia malayi Dopamine receptor protein 1 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0122 1 1
Schistosoma mansoni amine GPCR 0.0122 1 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0079 0.4936 0.5
Schistosoma mansoni hypothetical protein 0.0122 1 1
Brugia malayi neuropeptide F receptor 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Echinococcus granulosus sex peptide receptor 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0122 1 1
Echinococcus multilocularis sex peptide receptor 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Onchocerca volvulus 0.0122 1 0.5
Echinococcus granulosus somatostatin receptor 0.0122 1 1
Onchocerca volvulus 0.0122 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Brugia malayi RE15519p 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0122 1 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0122 1 1
Leishmania major guanosine monophosphate reductase 0.0079 0.4936 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0122 1 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0122 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0122 1 1
Echinococcus multilocularis orexin receptor type 2 0.0122 1 1
Brugia malayi ORL1-like opioid receptor 0.0122 1 1
Echinococcus multilocularis serotonin receptor 0.0122 1 1
Schistosoma mansoni amine GPCR 0.0122 1 1
Echinococcus multilocularis neuropeptide receptor 0.0122 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0122 1 1
Schistosoma mansoni neuropeptide receptor 0.0122 1 1
Echinococcus multilocularis g protein coupled receptor 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Schistosoma mansoni biogenic amine receptor 0.0122 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0122 1 1
Echinococcus multilocularis fmrfamide receptor 0.0122 1 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0122 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0122 1 0.5
Trypanosoma cruzi GMP reductase 0.0079 0.4936 0.5
Brugia malayi hypothetical protein 0.0122 1 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0122 1 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0122 1 1
Onchocerca volvulus 0.0122 1 0.5
Echinococcus multilocularis somatostatin receptor 0.0122 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0122 1 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0075 0.4377 0.5
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Brugia malayi Serotonin receptor 0.0122 1 1
Brugia malayi sulfakinin receptor protein 0.0122 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0122 1 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0122 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0122 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0122 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0122 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0122 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Echinococcus granulosus hypothetical protein 0.0122 1 1
Onchocerca volvulus 0.0122 1 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0079 0.4936 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0122 1 1
Onchocerca volvulus 0.0122 1 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0122 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0122 1 1
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0042 0.0471 0.0954
Onchocerca volvulus 0.0122 1 0.5
Brugia malayi hypothetical protein 0.0122 1 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0122 1 1
Brugia malayi Dopamine receptor protein 2 0.0122 1 1
Brugia malayi putative neuropeptide receptor 0.0122 1 1
Schistosoma mansoni hypothetical protein 0.0122 1 1
Brugia malayi hypothetical protein 0.0122 1 1
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0075 0.4377 0.5
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0122 1 1
Onchocerca volvulus 0.0122 1 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0122 1 1
Schistosoma mansoni opsin-like receptor 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Schistosoma mansoni biogenic amine receptor 0.0122 1 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Echinococcus multilocularis neuropeptide s receptor 0.0122 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0122 1 1
Echinococcus granulosus neuropeptide receptor 0.0122 1 1
Onchocerca volvulus 0.0122 1 0.5
Schistosoma mansoni amine GPCR 0.0122 1 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0122 1 1
Schistosoma mansoni opsin-like receptor 0.0122 1 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0122 1 1
Schistosoma mansoni hypothetical protein 0.0122 1 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Echinococcus multilocularis neuropeptide receptor 0.0122 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0122 1 1
Schistosoma mansoni amine GPCR 0.0122 1 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0079 0.4936 0.5
Onchocerca volvulus 0.0122 1 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0122 1 1
Schistosoma mansoni myosin xvIII 0.0122 1 1
Echinococcus multilocularis serotonin receptor 0.0122 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0122 1 1
Echinococcus granulosus g protein coupled receptor 0.0122 1 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0122 1 1
Echinococcus granulosus fmrfamide receptor 0.0122 1 1
Echinococcus multilocularis fmrfamide receptor 0.0122 1 1
Echinococcus multilocularis allatostatin A receptor 0.0122 1 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0122 1 1
Echinococcus granulosus g protein coupled receptor 0.0122 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0122 1 1
Echinococcus granulosus neuropeptide receptor A26 0.0122 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0122 1 1
Schistosoma mansoni adenoreceptor 0.0122 1 1
Echinococcus granulosus neuropeptide receptor 0.0122 1 1
Trypanosoma brucei GMP reductase 0.0079 0.4936 0.5
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0079 0.4936 0.5
Brugia malayi Dopamine receptor 0.0122 1 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0122 1 1
Brugia malayi larval opioid receptor 0.0122 1 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0079 0.4936 0.5
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0122 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0122 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0122 1 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Schistosoma mansoni opsin-like receptor 0.0122 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0122 1 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0122 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0122 1 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0122 1 0.5
Brugia malayi G-protein coupled receptor 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Echinococcus granulosus allatostatin A receptor 0.0122 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0122 1 1
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0079 0.4936 0.5
Schistosoma mansoni hypothetical protein 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0075 0.4377 0.8869
Echinococcus multilocularis G protein coupled receptor 139 0.0122 1 1
Onchocerca volvulus 0.0122 1 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0122 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0122 1 1
Onchocerca volvulus 0.0122 1 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0122 1 1
Echinococcus granulosus g protein coupled receptor 0.0122 1 1
Schistosoma mansoni neuropeptide receptor 0.0122 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0122 1 1

Activities

No activities found for this compound.

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

No literature references available for this target.

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