Detailed information for compound 1442517

Basic information

Technical information
  • TDR Targets ID: 1442517
  • Name: (5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-3,9-di azaspiro[4.5]decane-3-carboxamide
  • MW: 347.427 | Formula: C19H26FN3O2
  • H donors: 1 H acceptors: 2 LogP: 2.34 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NC(=O)N1CC[C@]2(C1)CCCN(C2)C(=O)c1cccc(c1)F)C
  • InChi: 1S/C19H26FN3O2/c1-14(2)21-18(25)23-10-8-19(13-23)7-4-9-22(12-19)17(24)15-5-3-6-16(20)11-15/h3,5-6,11,14H,4,7-10,12-13H2,1-2H3,(H,21,25)/t19-/m1/s1
  • InChiKey: BNJABVJYPJSROP-LJQANCHMSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5R)-9-(3-fluorobenzoyl)-N-isopropyl-3,9-diazaspiro[4.5]decane-3-carboxamide
  • (5R)-9-[(3-fluorophenyl)-oxomethyl]-N-isopropyl-3,9-diazaspiro[4.5]decane-3-carboxamide
  • (5R)-9-(3-fluorophenyl)carbonyl-N-propan-2-yl-3,9-diazaspiro[4.5]decane-3-carboxamide
  • PCOP-686605
  • NCGC00012006

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
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0039 0.0039
Loa Loa (eye worm) hexokinase 0.0175 1 1
Echinococcus granulosus hexokinase 0.0175 1 1
Trypanosoma brucei hexokinase 0.0175 1 0.5
Echinococcus multilocularis hexokinase 0.0175 1 1
Trypanosoma brucei hexokinase, putative 0.0175 1 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.1632 0.5
Trypanosoma cruzi hexokinase, putative 0.0175 1 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.2022 0.2022
Schistosoma mansoni hexokinase 0.0175 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.004 0.1795 0.1795
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.1734 0.1734
Schistosoma mansoni jun-related protein 0.0075 0.3897 0.3897
Echinococcus granulosus hexokinase type 2 0.0175 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.004 0.1795 0.1795
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.1734 0.1734
Echinococcus granulosus hexokinase 0.0175 1 1
Echinococcus multilocularis hexokinase 0.0175 1 1
Brugia malayi Hexokinase family protein 0.0175 1 1
Brugia malayi bZIP transcription factor family protein 0.0092 0.4951 0.4951
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.1632 0.5
Loa Loa (eye worm) hypothetical protein 0.0089 0.4797 0.4797
Schistosoma mansoni hypothetical protein 0.0039 0.1734 0.1734
Loa Loa (eye worm) hexokinase 0.0175 1 1
Echinococcus multilocularis hexokinase type 2 0.0175 1 1
Plasmodium vivax hexokinase, putative 0.0175 1 0.5
Brugia malayi Hexokinase family protein 0.0054 0.2626 0.2626
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0039 0.0039
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.004 0.1795 0.1795
Loa Loa (eye worm) hypothetical protein 0.0119 0.6605 0.6605
Entamoeba histolytica hexokinase 1 0.0175 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0012 0.0039 0.0039
Toxoplasma gondii hexokinase 0.0175 1 0.5
Loa Loa (eye worm) hexokinase type II 0.0175 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.1734 0.1734
Echinococcus granulosus voltage gated potassium channel 0.0012 0.0039 0.0039
Loa Loa (eye worm) hexokinase 0.0054 0.2626 0.2626
Echinococcus granulosus hexokinase 0.0175 1 1
Onchocerca volvulus 0.0175 1 1
Brugia malayi hypothetical protein 0.0072 0.3743 0.3743
Trypanosoma brucei hexokinase 0.0175 1 0.5
Plasmodium falciparum hexokinase 0.0175 1 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0092 0.4951 0.4951
Leishmania major hexokinase, putative 0.0175 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.1468 0.1468
Brugia malayi Hexokinase family protein 0.0109 0.6021 0.6021
Brugia malayi hexokinase type II 0.0055 0.2717 0.2717
Onchocerca volvulus 0.0175 1 1
Treponema pallidum hexokinase (hxk) 0.0175 1 0.5
Echinococcus multilocularis voltage gated potassium channel 0.0012 0.0039 0.0039
Onchocerca volvulus 0.0175 1 1
Brugia malayi hypothetical protein 0.0039 0.1734 0.1734
Trypanosoma cruzi hexokinase, putative 0.0175 1 0.5
Leishmania major hexokinase, putative 0.0175 1 0.5
Schistosoma mansoni hypothetical protein 0.0075 0.3897 0.3897
Echinococcus multilocularis jun protein 0.0092 0.4951 0.4951
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0092 0.4951 0.4951
Loa Loa (eye worm) hexokinase 0.0109 0.6021 0.6021
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.004 0.1795 0.1795
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0012 0.0039 0.0039
Onchocerca volvulus 0.0109 0.6021 0.6021
Onchocerca volvulus 0.0072 0.3743 0.3743
Echinococcus multilocularis hexokinase 0.0175 1 1
Entamoeba histolytica hexokinase 2 0.0175 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.2022 0.2022
Loa Loa (eye worm) hypothetical protein 0.0012 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0055 0.2717 0.2717
Onchocerca volvulus Hexokinase homolog 0.0109 0.6021 0.6021
Echinococcus granulosus jun protein 0.0092 0.4951 0.4951
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0012 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0055 0.2717 0.2717

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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