Detailed information for compound 1419064

Basic information

Technical information
  • TDR Targets ID: 1419064
  • Name: N-(1-adamantyl)-N-ethyl-2-methylsulfanylpyrid ine-3-carboxamide
  • MW: 330.488 | Formula: C19H26N2OS
  • H donors: 0 H acceptors: 2 LogP: 4.2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C12CC3CC(C2)CC(C1)C3)C(=O)c1cccnc1SC
  • InChi: 1S/C19H26N2OS/c1-3-21(18(22)16-5-4-6-20-17(16)23-2)19-10-13-7-14(11-19)9-15(8-13)12-19/h4-6,13-15H,3,7-12H2,1-2H3
  • InChiKey: QMHVAAJWMOVYMK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1-adamantyl)-N-ethyl-2-methylsulfanyl-pyridine-3-carboxamide
  • N-(1-adamantyl)-N-ethyl-2-(methylthio)-3-pyridinecarboxamide
  • N-(1-adamantyl)-N-ethyl-2-(methylthio)nicotinamide
  • ZINC06510771
  • T5382232

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1761 0.1761
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.0984 0.0984
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Brugia malayi RNA binding protein 0.0076 0.2934 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0 0.5
Schistosoma mansoni hypothetical protein 0.0205 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2934 0.2934
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0984 0.3355
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Brugia malayi TAR-binding protein 0.0076 0.2934 1
Loa Loa (eye worm) hypothetical protein 0.006 0.2035 0.6936
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1761 0.1761
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2934 1
Leishmania major DNA polymerase eta, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2934 0.2934
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1761 0.6003
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0984 0.3355
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0 0.5
Leishmania major DNA polymerase kappa, putative 0.0023 0 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2934 0.2934
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2934 0.2934
Echinococcus multilocularis geminin 0.0205 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2035 0.6936
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2934 0.2934
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1761 0.6003
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1761 0.1761
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1761 0.1761
Schistosoma mansoni hypothetical protein 0.0205 1 1
Trypanosoma brucei unspecified product 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0 0.5
Giardia lamblia DINP protein human, muc B family 0.0023 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2934 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2934 0.2934
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1761 0.1761
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2035 0.6936
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2035 0.6936
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1761 0.1761
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0076 0.2934 0.2934
Loa Loa (eye worm) RNA binding protein 0.0076 0.2934 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1761 0.1761
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2934 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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.
 
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.

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