Detailed information for compound 102659

Basic information

Technical information
  • TDR Targets ID: 102659
  • Name: 4-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-ox opentanamide
  • MW: 286.369 | Formula: C17H22N2O2
  • H donors: 1 H acceptors: 2 LogP: 2.72 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CC(=O)C(=O)NCCc1cn(c2c1cccc2)C)C
  • InChi: 1S/C17H22N2O2/c1-12(2)10-16(20)17(21)18-9-8-13-11-19(3)15-7-5-4-6-14(13)15/h4-7,11-12H,8-10H2,1-3H3,(H,18,21)
  • InChiKey: BPINGHRSGOCBJJ-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-pentanamide
  • 4-methyl-N-[2-(1-methyl-3-indolyl)ethyl]-2-oxopentanamide
  • 2-keto-4-methyl-N-[2-(1-methylindol-3-yl)ethyl]valeramide

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
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.6045 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.6045 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.6045 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0479 0.0792
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0064 1 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0045 0.6045 0.5
Loa Loa (eye worm) doublecortin family protein 0.0023 0.1456 0.3857
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.1456 0.1456
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.6045 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.6045 1
Echinococcus multilocularis RUN 0.0023 0.1456 0.1456
Echinococcus multilocularis dna polymerase kappa 0.0045 0.6045 0.6045
Plasmodium vivax multidomain scavenger receptor, putative 0.0023 0.1456 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.1456 0.3857
Plasmodium falciparum LCCL domain-containing protein 0.0023 0.1456 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.6045 1
Onchocerca volvulus 0.0023 0.1456 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0045 0.6045 0.5
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.1456 0.1456
Leishmania major DNA polymerase kappa, putative 0.0023 0.15 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0016 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.15 0.2481
Brugia malayi hypothetical protein 0.0023 0.1456 0.3857
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.1456 0.1456
Mycobacterium ulcerans DNA polymerase IV 0.0045 0.6045 0.5
Echinococcus granulosus Polycystic kidney disease protein 0.0023 0.1456 0.1456
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.6045 1
Brugia malayi hypothetical protein 0.0023 0.1456 0.3857
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.6045 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.6045 1
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.6045 1
Schistosoma mansoni loxhd1 0.0023 0.1456 0.1456
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.15 1
Echinococcus granulosus RUN 0.0023 0.1456 0.1456
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.3776 0.6246
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.15 1
Schistosoma mansoni hypothetical protein 0.0023 0.1456 0.1456
Schistosoma mansoni polycystin 1-related 0.0023 0.1456 0.1456
Trypanosoma brucei unspecified product 0.0038 0.4545 0.7519
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.6045 1
Echinococcus granulosus dna polymerase kappa 0.0045 0.6045 0.6045
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.4545 0.7519
Brugia malayi polk-prov protein 0.0034 0.3776 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.1456 0.1456
Brugia malayi Doublecortin family protein 0.0023 0.1456 0.3857
Giardia lamblia DINP protein human, muc B family 0.0023 0.15 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.6045 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.3776 1
Schistosoma mansoni lipoxygenase 0.0064 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0479 0.0792
Schistosoma mansoni rab6-interacting 0.0023 0.1456 0.1456
Loa Loa (eye worm) hypothetical protein 0.0023 0.1456 0.3857
Schistosoma mansoni rab6-interacting 0.0023 0.1456 0.1456
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0479 0.0792
Trichomonas vaginalis DNA polymerase eta, putative 0.0045 0.6045 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.6045 1
Schistosoma mansoni lipoxygenase 0.0023 0.1456 0.1456
Echinococcus multilocularis Polycystic kidney disease protein 0.0023 0.1456 0.1456
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.6045 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.6045 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.3776 0.6246
Onchocerca volvulus 0.0023 0.1456 0.5

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.03 ug ml-1 In vitro inhibitory activity in iso sensitest agar against Staphylococcus aureus strain ATCC 6538 ChEMBL. 9873483
MIC (functional) = 0.03 ug ml-1 In vitro inhibitory activity in iso sensitest agar against Staphylococcus aureus strain ATCC 25923 ChEMBL. 9873483
MIC (functional) = 0.03 ug ml-1 In vitro inhibitory activity in iso sensitest agar against Staphylococcus aureus strain ATCC 29213 ChEMBL. 9873483
MIC (functional) = 0.03 ug ml-1 In vitro inhibitory activity in iso sensitest agar against Staphylococcus hyicus strain ATCC 9621 ChEMBL. 9873483
MIC (functional) = 0.03 ug ml-1 In vitro inhibitory activity in iso sensitest agar against Staphylococcus hyicus strain ATCC 9622 ChEMBL. 9873483
MIC (functional) = 0.5 ug ml-1 In vitro inhibitory activity in iso sensitest agar against Staphylococcus intermedius strain ATCC 9503 ChEMBL. 9873483
MIC (functional) = 2 ug ml-1 In vitro inhibitory activity in iso sensitest agar against Staphylococcus intermedius strain ATCC 29663 ChEMBL. 9873483
MIC (functional) = 16 ug ml-1 In vitro inhibitory activity in iso sensitest agar against Staphylococcus aureus strain ATCC 25923 in addition with 5%serum ChEMBL. 9873483
MIC (functional) = 16 ug ml-1 In vitro inhibitory activity in iso sensitest agar against Staphylococcus aureus strain ATCC 29213 in addition with 5%serum ChEMBL. 9873483
MIC (functional) = 16 ug ml-1 In vitro inhibitory activity in iso sensitest agar against Staphylococcus intermedius strain ATCC 29663 in addition with 5%serum ChEMBL. 9873483
MIC (functional) = 32 ug ml-1 In vitro inhibitory activity in iso sensitest agar against Staphylococcus intermedius strain ATCC 9503 in addition with 5%serum ChEMBL. 9873483
MIC (functional) > 64 ug ml-1 In vitro inhibitory activity in iso sensitest agar against Staphylococcus aureus strain ATCC 6538 in addition with 5%serum ChEMBL. 9873483
MIC (functional) > 64 ug ml-1 In vitro inhibitory activity in iso sensitest agar against Staphylococcus hyicus strain ATCC 9621 in addition with 5%serum ChEMBL. 9873483
MIC (functional) > 64 ug ml-1 In vitro inhibitory activity in iso sensitest agar against Staphylococcus hyicus strain ATCC 9622 in addition with 5%serum ChEMBL. 9873483

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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