Detailed information for compound 1772702

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 347.412 | Formula: C17H25N5O3
  • H donors: 1 H acceptors: 3 LogP: 1.6 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=CCn1c(OC[C@H]2CCCN2)nc2c1c(=O)n(c(=O)n2C)C)C
  • InChi: 1S/C17H25N5O3/c1-11(2)7-9-22-13-14(20(3)17(24)21(4)15(13)23)19-16(22)25-10-12-6-5-8-18-12/h7,12,18H,5-6,8-10H2,1-4H3/t12-/m1/s1
  • InChiKey: CVJWBMIJZVYAIY-GFCCVEGCSA-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
Echinococcus multilocularis somatostatin receptor 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 1 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0079 1 0.5
Brugia malayi sulfakinin receptor protein 0.0079 1 1
Echinococcus multilocularis g protein coupled receptor 0.0079 1 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0079 1 0.5
Loa Loa (eye worm) CYP4Cod1 0.0077 0.9395 0.9395
Brugia malayi RE15519p 0.0079 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Brugia malayi hypothetical protein 0.0079 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 1 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0079 1 1
Schistosoma mansoni neuropeptide receptor 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 1 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0079 1 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0079 1 0.5
Echinococcus granulosus allatostatin A receptor 0.0079 1 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0079 1 0.5
Onchocerca volvulus 0.0079 1 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0079 1 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0079 1 0.5
Echinococcus multilocularis allatostatin A receptor 0.0079 1 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.0079 1 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0079 1 0.5
Brugia malayi neuropeptide F receptor 0.0079 1 1
Echinococcus granulosus sex peptide receptor 0.0079 1 0.5
Onchocerca volvulus 0.0079 1 0.5
Echinococcus granulosus neuropeptide receptor 0.0079 1 0.5
Echinococcus granulosus somatostatin receptor 0.0079 1 0.5
Onchocerca volvulus 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0079 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 1 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0079 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Brugia malayi Serotonin receptor 0.0079 1 1
Echinococcus granulosus serotonin receptor 0.0079 1 0.5
Leishmania major cytochrome p450-like protein 0.0077 0.9395 0.5
Echinococcus granulosus g-protein coupled receptor 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Schistosoma mansoni hypothetical protein 0.0079 1 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0079 1 0.5
Brugia malayi Dopamine receptor 0.0079 1 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0079 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0079 1 0.5
Schistosoma mansoni myosin xvIII 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Echinococcus multilocularis g protein coupled receptor 0.0079 1 0.5
Schistosoma mansoni neuropeptide receptor 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Schistosoma mansoni neuropeptide receptor 0.0079 1 0.5
Schistosoma mansoni hypothetical protein 0.0079 1 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0079 1 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0079 1 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Echinococcus multilocularis neuropeptide receptor 0.0079 1 0.5
Brugia malayi hypothetical protein 0.0079 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0079 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 1 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0079 1 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0079 1 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0079 1 0.5
Echinococcus granulosus g protein coupled receptor 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Echinococcus multilocularis fmrfamide receptor 0.0079 1 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0079 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Echinococcus granulosus g protein coupled receptor 0.0079 1 0.5
Brugia malayi putative neuropeptide receptor NPR1 0.0079 1 1
Echinococcus granulosus orexin receptor type 2 0.0079 1 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.0079 1 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0079 1 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0079 1 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0079 1 0.5
Brugia malayi ORL1-like opioid receptor 0.0079 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0079 1 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.0079 1 0.5
Onchocerca volvulus 0.0079 1 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0079 1 1
Onchocerca volvulus 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Echinococcus granulosus hypothetical protein 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Echinococcus multilocularis serotonin receptor 0.0079 1 0.5
Brugia malayi G-protein coupled receptor 0.0079 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Brugia malayi hypothetical protein 0.0079 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 1 0.5
Echinococcus granulosus neuropeptide receptor 0.0079 1 0.5
Schistosoma mansoni opsin-like receptor 0.0079 1 0.5
Schistosoma mansoni neuropeptide receptor 0.0079 1 0.5
Onchocerca volvulus 0.0079 1 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0079 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 1 0.5
Brugia malayi GnHR receptor homolog 0.0079 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0079 1 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0079 1 0.5
Echinococcus granulosus fmrfamide receptor 0.0079 1 0.5
Schistosoma mansoni hypothetical protein 0.0079 1 0.5
Brugia malayi Melatonin receptor type 1A 0.0079 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0079 1 0.5
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0079 1 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0079 1 0.5
Echinococcus multilocularis serotonin receptor 0.0079 1 0.5
Echinococcus multilocularis g protein coupled receptor 0.0079 1 0.5
Schistosoma mansoni amine GPCR 0.0079 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 1 0.5
Brugia malayi hypothetical protein 0.0079 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0079 1 0.5
Schistosoma mansoni opsin-like receptor 0.0079 1 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0079 1 0.5
Brugia malayi larval opioid receptor 0.0079 1 1
Echinococcus granulosus neuropeptide s receptor 0.0079 1 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0079 1 0.5
Loa Loa (eye worm) TYRA-2 protein 0.0079 1 1
Schistosoma mansoni amine GPCR 0.0079 1 0.5
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0079 1 1
Onchocerca volvulus 0.0079 1 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Brugia malayi follicle stimulating hormone receptor 0.0079 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0079 1 0.5
Onchocerca volvulus 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0079 1 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0079 1 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0077 0.9395 0.5
Brugia malayi Serotonin receptor 0.0079 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0079 1 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0077 0.9395 0.9395
Schistosoma mansoni amine GPCR 0.0079 1 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0079 1 0.5
Schistosoma mansoni alpha-1 adrenergic receptor 0.0079 1 0.5
Onchocerca volvulus 0.0079 1 0.5
Schistosoma mansoni amine GPCR 0.0079 1 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0079 1 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0079 1 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0079 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 1 0.5
Onchocerca volvulus 0.0079 1 0.5
Onchocerca volvulus 0.0079 1 0.5
Onchocerca volvulus 0.0079 1 0.5
Schistosoma mansoni biogenic amine receptor 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0077 0.9395 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0079 1 0.5
Brugia malayi hypothetical protein 0.0079 1 1
Echinococcus multilocularis neuropeptide receptor 0.0079 1 0.5
Brugia malayi G protein-coupled receptor F59B2.13 0.0079 1 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0079 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0077 0.9395 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0079 1 0.5
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0079 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 1 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0079 1 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0079 1 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0079 1 1
Brugia malayi hypothetical protein 0.0079 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0079 1 0.5
Brugia malayi Dopamine receptor protein 2 0.0079 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0079 1 0.5
Brugia malayi G-protein coupled receptor 0.0079 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Echinococcus multilocularis orexin receptor type 2 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Brugia malayi putative neuropeptide receptor 0.0079 1 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0079 1 0.5
Echinococcus granulosus g protein coupled receptor 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Schistosoma mansoni adenoreceptor 0.0079 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 1 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0079 1 0.5
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0079 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Schistosoma mansoni amine GPCR 0.0079 1 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0079 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 1 0.5
Brugia malayi neuropeptide F receptor 0.0079 1 1
Schistosoma mansoni biogenic amine receptor 0.0079 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0079 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0079 1 0.5
Onchocerca volvulus 0.0079 1 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Brugia malayi hypothetical protein 0.0079 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 1 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0079 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 1 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0079 1 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0077 0.9395 0.9395
Echinococcus multilocularis fmrfamide receptor 0.0079 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 1 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Onchocerca volvulus 0.0079 1 0.5
Brugia malayi AKH receptor 0.0079 1 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0079 1 0.5
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0079 1 0.5
Brugia malayi hypothetical protein 0.0079 1 1
Schistosoma mansoni biogenic amine receptor 0.0079 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 1 0.5
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0079 1 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0079 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 1 0.5
Trypanosoma brucei cytochrome P450, putative 0.0077 0.9395 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0079 1 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0079 1 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Brugia malayi hypothetical protein 0.0079 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 1 0.5
Schistosoma mansoni opsin-like receptor 0.0079 1 0.5
Brugia malayi G protein-coupled receptor 0.0079 1 1
Schistosoma mansoni hypothetical protein 0.0079 1 0.5
Brugia malayi Dopamine receptor protein 1 0.0079 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0079 1 1
Echinococcus multilocularis sex peptide receptor 0.0079 1 0.5
Schistosoma mansoni growth hormone secretagogue receptor 0.0079 1 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0079 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 1 0.5
Onchocerca volvulus 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Echinococcus multilocularis neuropeptide receptor A26 0.0079 1 0.5
Onchocerca volvulus 0.0079 1 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0079 1 0.5
Onchocerca volvulus 0.0079 1 0.5
Schistosoma mansoni histamine h1 receptor 0.0079 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) > 7000 nM Inhibition of porcine DPP4 assessed as residual enzyme activity using H-Gly-Pro-AMC as substrate by fluorescence assay ChEMBL. 24900744
Activity (binding) > 7000 nM Inhibition of human DPP4 assessed as residual enzyme activity using H-Gly-Pro-AMC as substrate by fluorescence assay ChEMBL. 24900744

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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