Detailed information for compound 1560587

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 436.545 | Formula: C22H36N4O5
  • H donors: 1 H acceptors: 2 LogP: 0.62 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC[C@H]1CN(C[C@@H](C1)C(=O)NC[C@H]1CCCO1)Cc1nc(oc1C)N1CCOCC1
  • InChi: 1S/C22H36N4O5/c1-16-20(24-22(31-16)26-5-8-29-9-6-26)14-25-12-17(15-28-2)10-18(13-25)21(27)23-11-19-4-3-7-30-19/h17-19H,3-15H2,1-2H3,(H,23,27)/t17-,18-,19-/m1/s1
  • InChiKey: KOTMCBWMCHYLBT-GUDVDZBRSA-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
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
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
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
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
Plasmodium falciparum glyoxalase I 0.0443 1 1
Mycobacterium tuberculosis Cadmium inducible protein CadI 0.0103 0 0.5
Leishmania major glyoxalase I,trypanothione-dependent glyoxalase I 0.0443 1 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.0459 0.0459
Loa Loa (eye worm) hypothetical protein 0.0112 0.0282 0.0282
Echinococcus multilocularis serine threonine protein kinase 0.0198 0.2792 0.4658
Schistosoma mansoni serine/threonine protein kinase 0.0269 0.489 0.8943
Loa Loa (eye worm) hypothetical protein 0.0121 0.0548 0.0548
Mycobacterium ulcerans hypothetical protein 0.0103 0 0.5
Brugia malayi protein kinase C II. 0.0289 0.5468 0.5468
Trichomonas vaginalis conserved hypothetical protein 0.0103 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0112 0.0282 0.0282
Brugia malayi C1-like domain containing protein 0.0236 0.3913 0.3913
Echinococcus granulosus protein kinase c epsilon type 0.0289 0.5468 1
Mycobacterium ulcerans hypothetical protein 0.0103 0 0.5
Onchocerca volvulus 0.0162 0.1751 0.1751
Mycobacterium ulcerans hypothetical protein 0.0103 0 0.5
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0121 0.0548 0.0548
Echinococcus multilocularis protein kinase c iota type 0.0227 0.3654 0.6379
Echinococcus multilocularis serine:threonine protein kinase N2 0.0211 0.3186 0.5445
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0269 0.489 0.8846
Toxoplasma gondii glyoxalase I, putative 0.0443 1 1
Onchocerca volvulus 0.0239 0.401 0.401
Onchocerca volvulus 0.0276 0.5085 0.5085
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0289 0.5468 0.5468
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0127 0.0707 0.0707
Mycobacterium ulcerans hypothetical protein 0.0103 0 0.5
Entamoeba histolytica PH domain containing protein kinase, putative 0.0146 0.1262 0.5
Loa Loa (eye worm) hypothetical protein 0.0276 0.5085 0.5085
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0121 0.0548 0.1002
Loa Loa (eye worm) hypothetical protein 0.0349 0.7234 0.7234
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0164 0.1815 0.1815
Mycobacterium ulcerans hypothetical protein 0.0103 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0162 0.1751 0.1751
Trypanosoma brucei squalene monooxygenase, putative 0.0249 0.431 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0103 0 0.5
Echinococcus granulosus Protein kinase C brain isozyme 0.0269 0.489 0.8846
Mycobacterium ulcerans biphenyl-2,3-diol 1,2-dioxygenase 0.0103 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0269 0.489 0.8943
Schistosoma mansoni atypical protein kinase C 0.0233 0.3832 0.7007
Onchocerca volvulus Lactoylglutathione lyase homolog 0.0443 1 1
Loa Loa (eye worm) hypothetical protein 0.019 0.2557 0.2557
Mycobacterium ulcerans glyoxalase GloA 0.0103 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0103 0 0.5
Echinococcus multilocularis protein kinase c epsilon type 0.0289 0.5468 1
Mycobacterium tuberculosis Conserved protein TB27.3 0.0103 0 0.5
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0236 0.3913 0.3913
Loa Loa (eye worm) hypothetical protein 0.0276 0.5085 0.5085
Onchocerca volvulus 0.0234 0.3849 0.3849
Loa Loa (eye worm) hypothetical protein 0.0112 0.0282 0.0282
Loa Loa (eye worm) hypothetical protein 0.0347 0.7183 0.7183
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0162 0.1747 0.1747
Mycobacterium tuberculosis Conserved protein 0.0103 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0443 1 1
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0236 0.3913 0.3913
Trichomonas vaginalis conserved hypothetical protein 0.0103 0 0.5
Mycobacterium leprae conserved hypothetical protein 0.0103 0 0.5
Schistosoma mansoni protein kinase C mu 0.0236 0.3913 0.7156
Schistosoma mansoni serine/threonine protein kinase 0.0289 0.5468 1
Plasmodium vivax glyoxalase I, putative 0.0443 1 1
Trypanosoma cruzi lactoylglutathione lyase-like protein, putative 0.0443 1 1
Echinococcus granulosus protein kinase C gamma type 0.0198 0.2792 0.4658
Mycobacterium tuberculosis Conserved protein 0.0103 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0234 0.3849 0.3849
Brugia malayi protein kinase C3,putative 0.0156 0.1569 0.1569
Echinococcus granulosus protein kinase c iota type 0.0227 0.3654 0.6379
Loa Loa (eye worm) hypothetical protein 0.0276 0.5085 0.5085
Loa Loa (eye worm) hypothetical protein 0.0162 0.1751 0.1751
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0121 0.0548 0.0548
Echinococcus granulosus serine:threonine protein kinase N2 0.014 0.1101 0.1282
Mycobacterium ulcerans glyoxalase GloA 0.0103 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0239 0.401 0.401
Trypanosoma cruzi lactoylglutathione lyase-like protein, putative 0.0443 1 1
Brugia malayi Protein kinase c protein 2 0.0198 0.2805 0.2805

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 65 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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