Detailed information for compound 1512249

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 390.478 | Formula: C23H26N4O2
  • H donors: 1 H acceptors: 3 LogP: 2.55 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(n1)CNC(=O)[C@@H]1CCN(C1)Cc1nc(oc1C)c1ccccc1
  • InChi: 1S/C23H26N4O2/c1-16-7-6-10-20(25-16)13-24-22(28)19-11-12-27(14-19)15-21-17(2)29-23(26-21)18-8-4-3-5-9-18/h3-10,19H,11-15H2,1-2H3,(H,24,28)/t19-/m1/s1
  • InChiKey: QOIZSEBFZHNIOK-LJQANCHMSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phosphodiesterase 8B Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130653 All targets in OG5_130653
Schistosoma japonicum hypothetical protein Get druggable targets OG5_130653 All targets in OG5_130653
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein Get druggable targets OG5_130653 All targets in OG5_130653
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase Get druggable targets OG5_130653 All targets in OG5_130653
Schistosoma japonicum hypothetical protein Get druggable targets OG5_130653 All targets in OG5_130653
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase Get druggable targets OG5_130653 All targets in OG5_130653
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130653 All targets in OG5_130653
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130653 All targets in OG5_130653
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130653 All targets in OG5_130653
Schistosoma japonicum ko:K01120 3',5'-cyclic-nucleotide phosphodiesterase [EC3.1.4.17], putative Get druggable targets OG5_130653 All targets in OG5_130653

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 plexin 0.0023 0.0196 0.0633
Loa Loa (eye worm) hypothetical protein 0.0034 0.0518 0.0518
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0022 0.0144 0.0465
Echinococcus granulosus roundabout 2 0.0034 0.0518 0.5671
Loa Loa (eye worm) hypothetical protein 0.0022 0.0144 0.0144
Echinococcus multilocularis neuroglian 0.0027 0.0308 0.3376
Brugia malayi plexin A 0.0048 0.0913 0.0913
Echinococcus granulosus neuroglian 0.0027 0.0308 0.3376
Brugia malayi Plexin repeat family protein 0.004 0.0694 0.0694
Schistosoma mansoni vesicular amine transporter 0.0022 0.0144 0.0465
Schistosoma mansoni plexin 0.004 0.0694 0.2243
Loa Loa (eye worm) hypothetical protein 0.0112 0.2828 0.2828
Echinococcus granulosus twitchin 0.0027 0.0308 0.3376
Echinococcus multilocularis Immunoglobulin 0.0022 0.0144 0.1579
Echinococcus multilocularis Immunoglobulin 0.0022 0.0144 0.1579
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0022 0.0144 0.0465
Loa Loa (eye worm) plexin A 0.0048 0.0913 0.0913
Onchocerca volvulus 0.0322 0.9031 0.9698
Loa Loa (eye worm) hypothetical protein 0.0112 0.2828 0.2828
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0121 0.3096 0.3096
Loa Loa (eye worm) hypothetical protein 0.0121 0.3096 0.3096
Onchocerca volvulus 0.004 0.0694 0.0746
Echinococcus granulosus defective proboscis extension response 0.0022 0.0144 0.1579
Schistosoma mansoni hypothetical protein 0.0023 0.0196 0.0633
Loa Loa (eye worm) hypothetical protein 0.004 0.0694 0.0694
Loa Loa (eye worm) hypothetical protein 0.0112 0.2828 0.2828
Echinococcus granulosus plexin a4 0.0048 0.0913 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0144 0.0144
Loa Loa (eye worm) hypothetical protein 0.0029 0.0354 0.0354
Echinococcus multilocularis plexin a4 0.0048 0.0913 1
Brugia malayi hypothetical protein 0.0022 0.0144 0.0144
Loa Loa (eye worm) hypothetical protein 0.0034 0.0518 0.0518
Loa Loa (eye worm) hypothetical protein 0.0022 0.0144 0.0144
Loa Loa (eye worm) hypothetical protein 0.0022 0.0144 0.0144
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0121 0.3096 1
Brugia malayi Fibronectin type III domain containing protein 0.0022 0.0144 0.0144
Schistosoma mansoni cell adhesion molecule 0.0029 0.0354 0.1142
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0022 0.0144 0.1579
Brugia malayi Immunoglobulin I-set domain containing protein 0.0022 0.0144 0.0144
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0121 0.3096 0.3096
Echinococcus granulosus Immunoglobulin 0.0022 0.0144 0.1579
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0029 0.0354 0.3873
Echinococcus multilocularis roundabout 2 0.0034 0.0518 0.5671
Schistosoma mansoni nephrin 0.0027 0.0308 0.0995
Loa Loa (eye worm) hypothetical protein 0.0022 0.0144 0.0144
Loa Loa (eye worm) hypothetical protein 0.0022 0.0144 0.0144
Onchocerca volvulus Tyrosine kinase homolog 0.0331 0.9312 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0196 0.0196

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10000 nM Inhibition of PDE8B ChEMBL. 21459572

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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