Detailed information for compound 1512250

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 458.476 | Formula: C24H25F3N4O2
  • H donors: 1 H acceptors: 3 LogP: 3.56 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(n1)CNC(=O)[C@H]1CN(C[C@@H]1C(F)(F)F)Cc1nc(oc1C)c1ccccc1
  • InChi: 1S/C24H25F3N4O2/c1-15-7-6-10-18(29-15)11-28-22(32)19-12-31(13-20(19)24(25,26)27)14-21-16(2)33-23(30-21)17-8-4-3-5-9-17/h3-10,19-20H,11-14H2,1-2H3,(H,28,32)/t19-,20-/m0/s1
  • InChiKey: JJKCLLCSYJPADS-PMACEKPBSA-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) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 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
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
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 mansoni camp-specific cyclic nucleotide phosphodiesterase 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 japonicum hypothetical protein 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
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0121 0.6944 0.6944
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0121 0.6944 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.6383 0.6383
Onchocerca volvulus 0.0155 0.9026 0.9674
Echinococcus granulosus plexin a4 0.0023 0.0859 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.6383 0.6383
Loa Loa (eye worm) hypothetical protein 0.0019 0.0639 0.0639
Loa Loa (eye worm) hypothetical protein 0.0011 0.0138 0.0138
Echinococcus granulosus defective proboscis extension response 0.001 0.0086 0.0999
Brugia malayi Plexin repeat family protein 0.0019 0.0639 0.0639
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.001 0.0086 0.0124
Loa Loa (eye worm) hypothetical protein 0.0121 0.6944 0.6944
Echinococcus multilocularis Immunoglobulin 0.001 0.0086 0.0999
Loa Loa (eye worm) hypothetical protein 0.001 0.0086 0.0086
Brugia malayi Immunoglobulin I-set domain containing protein 0.001 0.0086 0.0086
Echinococcus multilocularis roundabout 2 0.0017 0.0462 0.5373
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0014 0.0296 0.3452
Loa Loa (eye worm) plexin A 0.0023 0.0859 0.0859
Echinococcus multilocularis Immunoglobulin 0.001 0.0086 0.0999
Schistosoma mansoni Neurotrimin precursor (hNT) 0.001 0.0086 0.0124
Onchocerca volvulus Tyrosine kinase homolog 0.0159 0.9308 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0086 0.0086
Echinococcus granulosus neuroglian 0.0013 0.0251 0.292
Schistosoma mansoni cell adhesion molecule 0.0014 0.0296 0.0427
Loa Loa (eye worm) hypothetical protein 0.001 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.001 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0014 0.0296 0.0296
Echinococcus granulosus Immunoglobulin 0.001 0.0086 0.0999
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0121 0.6944 0.6944
Schistosoma mansoni vesicular amine transporter 0.001 0.0086 0.0124
Echinococcus granulosus twitchin 0.0013 0.0251 0.292
Loa Loa (eye worm) hypothetical protein 0.001 0.0086 0.0086
Echinococcus granulosus roundabout 2 0.0017 0.0462 0.5373
Schistosoma mansoni plexin 0.0011 0.0138 0.0199
Schistosoma mansoni hypothetical protein 0.0011 0.0138 0.0199
Echinococcus multilocularis plexin a4 0.0023 0.0859 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0017 0.0462 0.0462
Schistosoma mansoni nephrin 0.0013 0.0251 0.0361
Loa Loa (eye worm) hypothetical protein 0.0112 0.6383 0.6383
Echinococcus multilocularis basement membrane specific heparan sulfate 0.001 0.0086 0.0999
Loa Loa (eye worm) hypothetical protein 0.0017 0.0462 0.0462
Schistosoma mansoni plexin 0.0019 0.0639 0.0921
Echinococcus multilocularis neuroglian 0.0013 0.0251 0.292
Brugia malayi plexin A 0.0023 0.0859 0.0859
Brugia malayi hypothetical protein 0.001 0.0086 0.0086
Brugia malayi Fibronectin type III domain containing protein 0.001 0.0086 0.0086

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1700 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.