Detailed information for compound 1595510

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 349.382 | Formula: C17H23N3O5
  • H donors: 4 H acceptors: 6 LogP: -0.28 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@@H](Cc2nnn(c2)Cc2ccc(cc2)C)[C@@H]([C@H]([C@@H]1O)O)O
  • InChi: 1S/C17H23N3O5/c1-10-2-4-11(5-3-10)7-20-8-12(18-19-20)6-13-15(22)17(24)16(23)14(9-21)25-13/h2-5,8,13-17,21-24H,6-7,9H2,1H3/t13-,14+,15-,16+,17+/m0/s1
  • InChiKey: IFCKGFPRKQYBLO-DMRKSPOLSA-N  


Substructure search Similarity search

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
Schistosoma mansoni biogenic amine receptor 0.0009 0.004 0.004
Schistosoma mansoni opsin-like receptor 0.0009 0.004 0.004
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0009 0.004 0.004
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0009 0.004 0.004
Schistosoma mansoni hypothetical protein 0.0009 0.004 0.004
Schistosoma mansoni biogenic amine receptor 0.0009 0.004 0.004
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0009 0.004 0.004
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0009 0.004 0.004
Onchocerca volvulus 0.0013 0.4426 0.4404
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0009 0.004 0.004
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0009 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0019 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0009 0.004 0.004
Schistosoma mansoni biogenic amine receptor 0.0009 0.004 0.004
Onchocerca volvulus 0.0013 0.4426 0.4404
Schistosoma mansoni biogenic amine (5HT) receptor 0.0009 0.004 0.004
Loa Loa (eye worm) DOMON domain-containing protein 0.0013 0.4426 0.4404
Onchocerca volvulus 0.0019 1 1
Schistosoma mansoni hypothetical protein 0.0009 0.004 0.004
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0009 0.004 0.004
Schistosoma mansoni amine GPCR 0.0009 0.004 0.004
Schistosoma mansoni neuropeptide receptor 0.0009 0.004 0.004
Onchocerca volvulus 0.0013 0.4426 0.4404
Schistosoma mansoni hypothetical protein 0.0009 0.004 0.004
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0009 0.004 0.004
Schistosoma mansoni hypothetical protein 0.0009 0.004 0.004
Schistosoma mansoni neuropeptide F-like receptor 0.0009 0.004 0.004
Brugia malayi Kringle domain containing protein 0.0019 1 1
Onchocerca volvulus 0.0013 0.4426 0.4404
Schistosoma mansoni neuropeptide receptor 0.0009 0.004 0.004
Schistosoma mansoni alpha-1 adrenergic receptor 0.0009 0.004 0.004
Schistosoma mansoni opsin-like receptor 0.0009 0.004 0.004
Trypanosoma cruzi hypothetical protein, conserved 0.0019 1 0.5
Schistosoma mansoni adenoreceptor 0.0009 0.004 0.004
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0009 0.004 0.004
Schistosoma mansoni neuropeptide receptor 0.0009 0.004 0.004
Schistosoma mansoni opsin-like receptor 0.0009 0.004 0.004
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0009 0.004 0.004
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0009 0.004 0.004
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0019 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.4426 0.4404
Schistosoma mansoni neuropeptide f receptor 76f 0.0009 0.004 0.004
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0009 0.004 0.004
Leishmania major hypothetical protein, conserved 0.0019 1 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0009 0.004 0.004
Schistosoma mansoni neuropeptide F-like receptor 0.0009 0.004 0.004
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0009 0.004 0.004
Echinococcus multilocularis tissue type plasminogen activator 0.0019 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0009 0.004 0.004
Schistosoma mansoni hypothetical protein 0.0019 1 1
Brugia malayi SEA domain containing protein 0.0013 0.4426 0.4404
Echinococcus granulosus tissue type plasminogen activator 0.0019 1 1
Loa Loa (eye worm) TK/ROR protein kinase 0.0019 1 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0009 0.004 0.004
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0009 0.004 0.004
Schistosoma mansoni amine GPCR 0.0009 0.004 0.004
Schistosoma mansoni histamine h1 receptor 0.0009 0.004 0.004
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0009 0.004 0.004
Plasmodium falciparum cysteine repeat modular protein 1 0.0019 1 0.5
Toxoplasma gondii kringle domain-containing protein 0.0019 1 0.5
Schistosoma mansoni amine GPCR 0.0009 0.004 0.004
Schistosoma mansoni neuropeptide receptor 0.0009 0.004 0.004
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0009 0.004 0.004
Schistosoma mansoni biogenic amine (5HT) receptor 0.0009 0.004 0.004
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0009 0.004 0.004
Schistosoma mansoni growth hormone secretagogue receptor 0.0009 0.004 0.004
Schistosoma mansoni myosin xvIII 0.0009 0.004 0.004
Brugia malayi Muscle positioning protein 4 0.0013 0.4426 0.4404
Onchocerca volvulus 0.0013 0.4426 0.4404
Schistosoma mansoni amine GPCR 0.0009 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0013 0.4426 0.4404
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0009 0.004 0.004
Schistosoma mansoni amine GPCR 0.0009 0.004 0.004
Schistosoma mansoni hypothetical protein 0.0013 0.4426 0.4426

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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