Detailed information for compound 73195

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 505.607 | Formula: C32H31N3O3
  • H donors: 0 H acceptors: 3 LogP: 4.99 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)C(=O)N(c2c1cccc2)Cc1ccncc1
  • InChi: 1S/C32H31N3O3/c1-37-29-11-10-25(20-30(29)38-26-6-2-3-7-26)32(21-23-12-16-33-17-13-23)27-8-4-5-9-28(27)35(31(32)36)22-24-14-18-34-19-15-24/h4-5,8-20,26H,2-3,6-7,21-22H2,1H3
  • InChiKey: QOSJCFPHSFHWRX-UHFFFAOYSA-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 4D, cAMP-specific Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Neospora caninum cAMP-specific phosphodiesterase, putative Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Cryptosporidium parvum membrane associated HD superfamily cyclic nucleotide phosphodiesterase domain containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum IPR002073,3'5'-cyclic nucleotide phosphodiesterase,domain-containing Get druggable targets OG5_128242 All targets in OG5_128242
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase, isoform F, putative Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4C, putative Get druggable targets OG5_128242 All targets in OG5_128242

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
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0266 0.2189 0.5
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0429 0.451 0.5
Schistosoma mansoni trans-prenyltransferase 0.0429 0.451 0.451
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0815 1 1
Leishmania major farnesyl pyrophosphate synthase 0.0815 1 1
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0266 0.2189 0.2189
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0815 1 1
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0815 1 0.5
Treponema pallidum octaprenyl-diphosphate synthase 0.0266 0.2189 0.5
Mycobacterium tuberculosis Probable polyprenyl-diphosphate synthase GrcC2 (polyprenyl pyrophosphate synthetase) 0.0266 0.2189 0.157
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0815 1 1
Mycobacterium ulcerans polyprenyl diphosphate synthetase, GrcC1 0.0429 0.451 0.2971
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0429 0.451 0.451
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0429 0.451 1
Schistosoma mansoni glutathione synthetase 0.0266 0.2189 0.2189
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0815 1 1
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0815 1 1
Loa Loa (eye worm) polyprenyl synthetase 0.0815 1 1
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0266 0.2189 0.2189
Leishmania major solanesyl-diphosphate synthase, putative 0.0429 0.451 0.2971
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0266 0.2189 0.2189
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0266 0.2189 0.2189
Mycobacterium tuberculosis Probable multifunctional geranylgeranyl pyrophosphate synthetase IdsA1 (GGPP synthetase) (ggppsase) (geranylgeranyl diphosphate 0.0266 0.2189 0.157
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0429 0.451 0.451
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0815 1 1
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0429 0.451 0.451
Trypanosoma cruzi solanesyl-diphosphate synthase 0.0429 0.451 0.2971
Loa Loa (eye worm) polyprenyl synthetase 0.0429 0.451 0.451
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0429 0.451 0.2971
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0266 0.2189 0.2189
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0429 0.451 1
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0815 1 1
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0429 0.451 1
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0815 1 1
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0266 0.2189 0.2189
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0429 0.451 0.2971
Giardia lamblia Farnesyl diphosphate synthase 0.0815 1 1
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0815 1 1
Mycobacterium tuberculosis Possible polyprenyl synthetase IdsB (polyprenyl transferase) (polyprenyl diphosphate synthase) 0.0266 0.2189 0.157
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0815 1 1
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0815 1 1
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0815 1 1
Brugia malayi Polyprenyl synthetase family protein 0.0429 0.451 0.2971
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0815 1 0.5
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0815 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1 uM Inhibition of guinea pig macrophage Phosphodiesterase 4 ChEMBL. 9871649
IC50 (binding) = 1 uM Inhibition of guinea pig macrophage Phosphodiesterase 4 ChEMBL. 9871649
Ki (binding) > 3.7 uM Displacement of [3H]-rolipram binding to guinea pig brain membrane ChEMBL. 9871649
Ki (binding) > 3.7 uM Displacement of [3H]-rolipram binding to guinea pig brain membrane ChEMBL. 9871649

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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