Detailed information for compound 1587105

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 325.402 | Formula: C20H23NO3
  • H donors: 0 H acceptors: 2 LogP: 3.7 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1(C)CCCN(C1)C(=O)c1cccc2c1cccc2
  • InChi: 1S/C20H23NO3/c1-3-24-19(23)20(2)12-7-13-21(14-20)18(22)17-11-6-9-15-8-4-5-10-16(15)17/h4-6,8-11H,3,7,12-14H2,1-2H3
  • InChiKey: XQHJDFRVMGCQDP-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 histone deacetylase 3 0.0303 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0303 1 1
Schistosoma mansoni purine nucleoside phosphorylase 0.0143 0.312 0.1206
Echinococcus multilocularis purine nucleoside phosphorylase 0.0143 0.312 0.1562
Echinococcus granulosus purine nucleoside phosphorylase 0.0143 0.312 0.1562
Schistosoma mansoni purine nucleoside phosphorylase 0.0143 0.312 0.1206
Schistosoma mansoni histone deacetylase 0.0303 1 1
Echinococcus multilocularis histone deacetylase 7 0.0192 0.5208 0.4123
Echinococcus granulosus purine nucleoside phosphorylase 0.0143 0.312 0.1562
Echinococcus granulosus purine nucleoside phosphorylase 0.0143 0.312 0.1562
Echinococcus multilocularis histone deacetylase 6 0.0192 0.5208 0.4123
Echinococcus granulosus purine nucleoside phosphorylase 0.0143 0.312 0.1562
Trypanosoma brucei histone deacetylase 1 0.0303 1 1
Loa Loa (eye worm) histone deacetylase 11 0.0121 0.2176 0.2176
Loa Loa (eye worm) histone deacetylase 0.0192 0.5208 0.5208
Echinococcus granulosus purine nucleoside phosphorylase 0.0143 0.312 0.1562
Trichomonas vaginalis histone deacetylase, putative 0.0303 1 1
Echinococcus multilocularis histone deacetylase 0.0192 0.5208 0.4123
Trypanosoma brucei histone deacetylase 3 0.0192 0.5208 0.3875
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0143 0.312 0.1206
Schistosoma mansoni histone deacetylase 4 5 0.0192 0.5208 0.3875
Echinococcus multilocularis purine nucleoside phosphorylase 0.0143 0.312 0.1562
Trichomonas vaginalis histone deacetylase, putative 0.0303 1 1
Echinococcus granulosus histone deacetylase 6 0.0192 0.5208 0.4123
Echinococcus granulosus purine nucleoside phosphorylase 0.0143 0.312 0.1562
Echinococcus granulosus purine nucleoside phosphorylase 0.0143 0.312 0.1562
Echinococcus granulosus histone deacetylase 1 0.0303 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0192 0.5208 0.3875
Loa Loa (eye worm) hypothetical protein 0.0114 0.1846 0.1846
Brugia malayi Histone deacetylase family protein 0.0192 0.5208 0.3875
Trypanosoma cruzi histone deacetylase, putative 0.0192 0.5208 0.3875
Trichomonas vaginalis histone deacetylase, putative 0.0303 1 1
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0143 0.312 0.5
Loa Loa (eye worm) hypothetical protein 0.0121 0.2176 0.2176
Trypanosoma cruzi histone deacetylase 1, putative 0.0303 1 1
Brugia malayi Histone deacetylase family protein 0.0192 0.5208 0.3875
Trichomonas vaginalis histone deacetylase, putative 0.0303 1 1
Leishmania major histone deacetylase, putative 0.0303 1 1
Plasmodium vivax histone deacetylase 2, putative 0.0192 0.5208 0.3875
Echinococcus granulosus histone deacetylase 6 0.0192 0.5208 0.4123
Echinococcus multilocularis purine nucleoside phosphorylase 0.0143 0.312 0.1562
Toxoplasma gondii histone deacetylase HDAC1 0.0192 0.5208 0.3875
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0143 0.312 1
Echinococcus multilocularis histone deacetylase 6 0.0192 0.5208 0.4123
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0143 0.312 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0303 1 1
Brugia malayi histone deacetylase 1 (HD1) 0.0303 1 1
Schistosoma mansoni histone deacetylase 0.0303 1 1
Plasmodium falciparum histone deacetylase 1 0.0303 1 1
Trypanosoma brucei histone deacetylase 4 0.0192 0.5208 0.3875
Loa Loa (eye worm) histone deacetylase 3 0.0303 1 1
Giardia lamblia Histone deacetylase 0.0303 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0303 1 1
Plasmodium vivax histone deacetylase, putative 0.0192 0.5208 0.3875
Loa Loa (eye worm) histone deacetylase 7A 0.0192 0.5208 0.5208
Echinococcus multilocularis purine nucleoside phosphorylase 0.0143 0.312 0.1562
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0143 0.312 0.5
Schistosoma mansoni histone deacetylase hda2 0.0192 0.5208 0.3875
Echinococcus multilocularis histone deacetylase 6 0.0192 0.5208 0.4123
Toxoplasma gondii histone deacetylase HDAC3 0.0303 1 1
Loa Loa (eye worm) hypothetical protein 0.0303 1 1
Echinococcus granulosus histone deacetylase 6 0.0192 0.5208 0.4123
Echinococcus multilocularis histone deacetylase 8 0.0121 0.2176 0.0405
Echinococcus granulosus histone deacetylase 8 0.0121 0.2176 0.0405
Trypanosoma cruzi histone deacetylase, putative 0.0192 0.5208 0.3875
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0303 1 1
Schistosoma mansoni histone deacetylase 4 5 0.0192 0.5208 0.3875
Entamoeba histolytica histone deacetylase, putative 0.0303 1 0.5
Leishmania major histone deacetylase, putative 0.0303 1 1
Brugia malayi Histone deacetylase 1 0.0303 1 1
Trypanosoma brucei histone deacetylase, putative 0.0192 0.5208 0.3875
Loa Loa (eye worm) histone deacetylase 1 0.0303 1 1
Echinococcus multilocularis histone deacetylase 1 0.0303 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0143 0.312 0.1562
Plasmodium vivax histone deacetylase 1, putative 0.0303 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0143 0.312 0.1562
Echinococcus granulosus histone deacetylase 0.0192 0.5208 0.4123
Trichomonas vaginalis histone deacetylase, putative 0.0303 1 1
Echinococcus multilocularis histone deacetylase 3 0.0303 1 1
Echinococcus granulosus histone deacetylase 7 0.0192 0.5208 0.4123
Trypanosoma cruzi histone deacetylase 1, putative 0.0303 1 1
Toxoplasma gondii histone deacetylase HDAC2 0.0303 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0143 0.312 0.1562

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

No literature references available for this target.

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