Detailed information for compound 1512251

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 418.531 | Formula: C25H30N4O2
  • H donors: 1 H acceptors: 3 LogP: 3.34 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H]1CN(C[C@@H](C1)C(=O)NCc1cccc(n1)C)Cc1nc(oc1C)c1ccccc1
  • InChi: 1S/C25H30N4O2/c1-17-12-21(24(30)26-13-22-11-7-8-18(2)27-22)15-29(14-17)16-23-19(3)31-25(28-23)20-9-5-4-6-10-20/h4-11,17,21H,12-16H2,1-3H3,(H,26,30)/t17-,21-/m1/s1
  • InChiKey: XGHRRZWMCMHRHA-DYESRHJHSA-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
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
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
Loa Loa (eye worm) 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
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
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 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
Echinococcus granulosus aryl hydrocarbon receptor 0.0025 0.0224 0.2586
Brugia malayi hypothetical protein 0.0021 0.0093 0.0093
Schistosoma mansoni vesicular amine transporter 0.0021 0.0093 0.0135
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0025 0.0224 1
Trichomonas vaginalis adenylate cyclase, putative 0.0025 0.0224 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0224 0.0224
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0025 0.0224 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0021 0.0093 0.0135
Echinococcus multilocularis plexin a4 0.0046 0.0865 1
Echinococcus granulosus neuroglian 0.0027 0.0258 0.2977
Brugia malayi Plexin repeat family protein 0.0039 0.0646 0.0646
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0224 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0093
Echinococcus granulosus defective proboscis extension response 0.0021 0.0093 0.1071
Schistosoma mansoni plexin 0.0023 0.0145 0.0211
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0224 1
Echinococcus multilocularis aryl hydrocarbon receptor 0.0025 0.0224 0.2586
Schistosoma mansoni aryl hydrocarbon receptor 0.0025 0.0224 0.0327
Echinococcus multilocularis Immunoglobulin 0.0021 0.0093 0.1071
Echinococcus granulosus plexin a4 0.0046 0.0865 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.6853 0.6853
Echinococcus granulosus Immunoglobulin 0.0021 0.0093 0.1071
Leishmania major protein kinase, putative 0.0025 0.0224 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0224 0.0224
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0093
Echinococcus multilocularis roundabout 2 0.0033 0.0468 0.541
Trichomonas vaginalis guanylate cyclase, putative 0.0025 0.0224 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0028 0.0303 0.3504
Schistosoma mansoni nephrin 0.0027 0.0258 0.0376
Schistosoma mansoni single-minded 0.0025 0.0224 0.0327
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0224 1
Onchocerca volvulus Tyrosine kinase homolog 0.0323 0.9309 1
Echinococcus multilocularis Immunoglobulin 0.0021 0.0093 0.1071
Loa Loa (eye worm) plexin A 0.0046 0.0865 0.0865
Schistosoma mansoni cell adhesion molecule 0.0028 0.0303 0.0443
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0025 0.0224 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0468 0.0468
Brugia malayi PAS domain containing protein 0.0025 0.0224 0.0224
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0021 0.0093 0.1071
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0093
Echinococcus granulosus roundabout 2 0.0033 0.0468 0.541
Brugia malayi plexin A 0.0046 0.0865 0.0865
Echinococcus multilocularis neuroglian 0.0027 0.0258 0.2977
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0021 0.0093 0.0135
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0025 0.0224 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0468 0.0468
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0093
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0025 0.0224 0.5
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0025 0.0224 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0021 0.0093 0.0093
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0025 0.0224 1
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0025 0.0224 1
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0025 0.0224 1
Onchocerca volvulus 0.0039 0.0646 0.0465
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0025 0.0224 1
Loa Loa (eye worm) hypothetical protein 0.0224 0.6299 0.6299
Echinococcus granulosus twitchin 0.0027 0.0258 0.2977
Schistosoma mansoni plexin 0.0039 0.0646 0.0942
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0025 0.0224 0.2586
Loa Loa (eye worm) hypothetical protein 0.0039 0.0646 0.0646
Loa Loa (eye worm) hypothetical protein 0.0224 0.6299 0.6299
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0025 0.0224 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0093
Onchocerca volvulus 0.0314 0.9026 0.9689
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0025 0.0224 0.2586
Loa Loa (eye worm) hypothetical protein 0.0224 0.6299 0.6299
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0243 0.6853 0.6853
Loa Loa (eye worm) hypothetical protein 0.0023 0.0145 0.0145
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0025 0.0224 0.0224
Loa Loa (eye worm) hypothetical protein 0.0028 0.0303 0.0303
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0243 0.6853 0.6853
Brugia malayi Fibronectin type III domain containing protein 0.0021 0.0093 0.0093
Mycobacterium leprae Possible regulatory protein 0.0025 0.0224 0.5
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0025 0.0224 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0093
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0025 0.0224 1
Schistosoma mansoni hypothetical protein 0.0023 0.0145 0.0211
Trichomonas vaginalis guanylate cyclase, putative 0.0025 0.0224 1
Brugia malayi hypothetical protein 0.0025 0.0224 0.0224
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0243 0.6853 1
Leishmania major protein kinase, putative 0.0025 0.0224 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 40 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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