Detailed information for compound 1202269

Basic information

Technical information
  • TDR Targets ID: 1202269
  • Name: 3-(1H-benzimidazol-2-yl)-N-phenylpropanamide
  • MW: 265.31 | Formula: C16H15N3O
  • H donors: 2 H acceptors: 2 LogP: 2.59 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1)CCc1nc2c([nH]1)cccc2
  • InChi: 1S/C16H15N3O/c20-16(17-12-6-2-1-3-7-12)11-10-15-18-13-8-4-5-9-14(13)19-15/h1-9H,10-11H2,(H,17,20)(H,18,19)
  • InChiKey: INLDVLTXWBJEMO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(1H-benzimidazol-2-yl)-N-phenyl-propanamide
  • 3-(1H-benzimidazol-2-yl)-N-phenyl-propionamide
  • IDI1_005002
  • SMR000025863
  • ChemDiv2_006287
  • MLS000091301

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 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) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0081 0.0081
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0081 0.0081
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0081 0.0081
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0185 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0081 0.0081
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0185 0.0185
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0081 0.0081
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0081 0.0081
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0081 0.0081
Brugia malayi MH2 domain containing protein 0.001 0.0048 0.0048
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0081 0.0081
Loa Loa (eye worm) inositol-1 0.0038 0.0451 0.0451
Brugia malayi nuclear receptor NHR-88 0.0012 0.0081 0.0081
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0714 1 1
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0081 0.0081
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0081 0.0081
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1945 0.1945
Brugia malayi Inositol-1 0.0038 0.0451 0.0451
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0081 0.0081
Echinococcus granulosus family S10 non peptidase ue S10 family 0.0644 0.9003 0.9003
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0048 0.0048
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0012 0.0081 0.0081
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0081 0.0081
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0081 0.0081
Brugia malayi steroid hormone receptor 0.0012 0.0081 0.0081
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0081 0.0081
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0048 0.0048
Echinococcus multilocularis Smad4 0.001 0.0048 0.0048
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0081 0.0081
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0451 1
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0012 0.0081 0.0081
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0081 0.0081
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0081 0.0081
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0081 0.0081
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0081 0.0081
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0714 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0081 0.0081
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0081 0.0081
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0048 0.0048
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0081 0.0081
Schistosoma mansoni inositol monophosphatase 0.0038 0.0451 0.0451
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.0714 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0081 0.0081
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0081 0.0081
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0451 0.0451
Schistosoma mansoni ap endonuclease 0.002 0.0185 0.0185
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0081 0.0081
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0714 1 1
Brugia malayi MH1 domain containing protein 0.001 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0012 0.0081 0.0081
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0081 0.0081
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0451 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0012 0.0081 0.0081
Brugia malayi nuclear hormone receptor 0.0012 0.0081 0.0081
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0394 1
Schistosoma mansoni coup transcription factor 0.0012 0.0081 0.0081
Schistosoma mansoni smad1 5 8 and 0.001 0.0048 0.0048
Schistosoma mansoni smad1 5 8 and 0.001 0.0048 0.0048
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0081 0.0081
Loa Loa (eye worm) Smad1 0.001 0.0048 0.0048
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0714 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0081 0.0081
Brugia malayi MH2 domain containing protein 0.0144 0.1945 0.1945
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0451 0.0271
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.0714 1 1
Brugia malayi MH1 domain containing protein 0.001 0.0048 0.0048
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0048 0.0048
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0185 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0081 0.0081
Schistosoma mansoni lysosomal protective protein precursor (cathepsin A) (carboxypeptidase 0.0071 0.0906 0.0906
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0081 0.0081
Schistosoma mansoni smad 0.001 0.0048 0.0048
Schistosoma mansoni Smad4 0.001 0.0048 0.0048
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0081 0.0081
Schistosoma mansoni inositol monophosphatase 0.0038 0.0451 0.0451
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0081 0.0081
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.0644 0.9003 0.9003
Echinococcus granulosus lysosomal protective protein 0.0714 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0081 0.0081
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0048 0.0048
Brugia malayi MH2 domain containing protein 0.001 0.0048 0.0048
Schistosoma mansoni smad1 5 8 and 0.001 0.0048 0.0048
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0081 0.0081
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0714 1 1
Echinococcus multilocularis lysosomal protective protein 0.0714 1 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0714 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0185 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0081 0.0081
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0451 0.0271
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0451 1
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.0714 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0081 0.0081
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0451 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0081 0.0081
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0081 0.0081
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0081 0.0081
Brugia malayi ecdysteroid receptor 0.0012 0.0081 0.0081
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0185 0.0185
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0451 0.0271
Loa Loa (eye worm) hypothetical protein 0.0714 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0081 0.0081
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0081 0.0081
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0185 0.0185
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0081 0.0081
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0451 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0081 0.0081
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0081 0.0081
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0451 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0048 0.0048
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0081 0.0081
Echinococcus granulosus Smad4 0.001 0.0048 0.0048
Echinococcus multilocularis smad 0.001 0.0048 0.0048
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0081 0.0081
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0081 0.0081
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0081 0.0081
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0081 0.0081
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0081 0.0081
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0081 0.0081
Brugia malayi Smad1 0.001 0.0048 0.0048
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.0714 1 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0048 0.0048
Echinococcus granulosus smad 0.001 0.0048 0.0048
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0451 0.0271
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0451 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0185 0.0185
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0081 0.0081
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.0394 0.5
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0714 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0081 0.0081
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1945 0.1945
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0185 0.5
Schistosoma mansoni ap endonuclease 0.002 0.0185 0.0185
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0451 0.0451
Loa Loa (eye worm) hypothetical protein 0.0012 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0012 0.0081 0.0081

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] 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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