Detailed information for compound 1423595

Basic information

Technical information
  • TDR Targets ID: 1423595
  • Name: 3-pyrrol-1-yl-N-(1,2,3,4-tetrahydronaphthalen -1-yl)propanamide
  • MW: 268.354 | Formula: C17H20N2O
  • H donors: 1 H acceptors: 1 LogP: 2.12 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC1CCCc2c1cccc2)CCn1cccc1
  • InChi: 1S/C17H20N2O/c20-17(10-13-19-11-3-4-12-19)18-16-9-5-7-14-6-1-2-8-15(14)16/h1-4,6,8,11-12,16H,5,7,9-10,13H2,(H,18,20)
  • InChiKey: DMSDDYHDYGGGDK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-pyrrol-1-yl-N-tetralin-1-yl-propanamide
  • 3-(1-pyrrolyl)-N-(1-tetralinyl)propanamide
  • 3-pyrrol-1-yl-N-tetralin-1-yl-propionamide
  • 3-(1H-pyrrol-1-yl)-N-1,2,3,4-tetrahydronaphthalen-1-ylpropanamide
  • MLS000094088
  • SMR000029703

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0406 0.808 0.8078
Loa Loa (eye worm) RNA binding protein 0.0386 0.7654 0.7652
Schistosoma mansoni hypothetical protein 0.0128 0.2064 0.2687
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0128 0.2064 0.2687
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0395 0.5
Schistosoma mansoni tar DNA-binding protein 0.0386 0.7654 1
Echinococcus granulosus GPCR family 2 0.0128 0.2064 0.2687
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.0395 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0128 0.2064 0.2687
Brugia malayi latrophilin 2 splice variant baaae 0.0278 0.5296 0.5296
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.5341 0.5336
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0098 0.0115
Brugia malayi MH2 domain containing protein 0.0034 0.001 0.001
Brugia malayi MH1 domain containing protein 0.0034 0.001 0.001
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0128 0.2064 0.2687
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.0395 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0395 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0395 0.0385
Loa Loa (eye worm) hypothetical protein 0.0278 0.5296 0.5291
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.0395 0.5
Schistosoma mansoni tar DNA-binding protein 0.0386 0.7654 1
Schistosoma mansoni hypothetical protein 0.0128 0.2064 0.2687
Loa Loa (eye worm) TAR-binding protein 0.0386 0.7654 0.7652
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0128 0.2064 0.2064
Loa Loa (eye worm) transcription factor SMAD2 0.0495 1 1
Brugia malayi MH1 domain containing protein 0.0034 0.001 0.001
Entamoeba histolytica hypothetical protein 0.0038 0.0098 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0098 0.0115
Brugia malayi RNA binding protein 0.0386 0.7654 0.7654
Schistosoma mansoni hypothetical protein 0.0128 0.2064 0.2687
Entamoeba histolytica hypothetical protein 0.0038 0.0098 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0406 0.808 0.808
Brugia malayi TAR-binding protein 0.0386 0.7654 0.7654
Schistosoma mansoni hypothetical protein 0.0278 0.5296 0.6914
Echinococcus multilocularis GPCR, family 2 0.0128 0.2064 0.2687
Entamoeba histolytica hypothetical protein 0.0038 0.0098 0.5
Brugia malayi hypothetical protein 0.0051 0.0395 0.0395
Brugia malayi follicle stimulating hormone receptor 0.028 0.5341 0.5341
Schistosoma mansoni tar DNA-binding protein 0.0386 0.7654 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0395 0.5
Loa Loa (eye worm) hypothetical protein 0.0128 0.2064 0.2056
Schistosoma mansoni tar DNA-binding protein 0.0386 0.7654 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0128 0.2064 0.2687
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0386 0.7654 0.7652
Loa Loa (eye worm) MH2 domain-containing protein 0.0495 1 1
Brugia malayi Smad1 0.0034 0.001 0.001
Schistosoma mansoni tar DNA-binding protein 0.0386 0.7654 1
Brugia malayi hypothetical protein 0.0038 0.0098 0.0098
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0406 0.808 0.8078
Brugia malayi Calcitonin receptor-like protein seb-1 0.0406 0.808 0.808
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0395 0.5
Brugia malayi Latrophilin receptor protein 2 0.0128 0.2064 0.2064
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0098 0.0115
Schistosoma mansoni hypothetical protein 0.0038 0.0098 0.0115
Leishmania major hypothetical protein, conserved 0.0051 0.0395 0.5
Echinococcus granulosus tar DNA binding protein 0.0386 0.7654 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0128 0.2064 0.2056
Echinococcus multilocularis tar DNA binding protein 0.0386 0.7654 1
Entamoeba histolytica hypothetical protein 0.0038 0.0098 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0386 0.7654 0.7654
Brugia malayi MH2 domain containing protein 0.0034 0.001 0.001
Schistosoma mansoni hypothetical protein 0.0128 0.2064 0.2687

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 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
Potency (functional) 6.5733 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) = 10 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) = 50.1187 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) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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

No literature references available for this target.

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