Detailed information for compound 1415808

Basic information

Technical information
  • TDR Targets ID: 1415808
  • Name: N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)aceta mide
  • MW: 203.237 | Formula: C12H13NO2
  • H donors: 1 H acceptors: 2 LogP: 1.2 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc2c(c1)CCCC2=O
  • InChi: 1S/C12H13NO2/c1-8(14)13-10-5-6-11-9(7-10)3-2-4-12(11)15/h5-7H,2-4H2,1H3,(H,13,14)
  • InChiKey: WEBCZGJWXXPNHB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1-oxotetralin-6-yl)acetamide
  • N-(1-oxo-6-tetralinyl)acetamide
  • N-(1-ketotetralin-6-yl)acetamide
  • N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)ethanamide
  • ZINC04271927
  • NRB 00998
  • SR-01000641226-1
  • SDCCGMLS-0066186.P001
  • MLS000861004
  • N1-(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
  • SMR000459788
  • Maybridge1_005781
  • Oprea1_724751
  • CDS1_001029
  • DivK1c_002069

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
Leishmania major DNA polymerase kappa, putative 0.0019 0.1128 0.5
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0067 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1128 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1128 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.1128 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.1128 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.1128 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.1128 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.1128 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1128 1
Trichomonas vaginalis Sentrin-specific protease, putative 0.0067 1 1
Leishmania major DNA polymerase eta, putative 0.0019 0.1128 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.1128 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1128 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.1128 0.5
Trypanosoma brucei unspecified product 0.0019 0.1128 1
Echinococcus multilocularis sentrin specific protease 8 0.0067 1 1
Giardia lamblia DINP protein human, muc B family 0.0019 0.1128 0.5
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0067 1 1
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0067 1 1
Loa Loa (eye worm) Ulp1 protease 0.0067 1 1
Echinococcus granulosus sentrin specific protease 8 0.0067 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1128 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.1128 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1128 1
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0067 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1128 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.1128 0.5
Trypanosoma cruzi hypothetical protein 0.0067 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1128 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1128 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1128 1
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0067 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 476 uM Displacement of biotinylated H3Kac14 peptide from His6-tagged human BAZ2B expressed in Escherichia coli BL21(DE3) after 30 mins by AlphaScreen assay ChEMBL. 24304323
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 28.1838 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
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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

1 literature reference was collected for this gene.

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