Detailed information for compound 1538791

Basic information

Technical information
  • TDR Targets ID: 1538791
  • Name: N-[4-(benzoyl)phenyl]-3-methylbenzamide
  • MW: 315.365 | Formula: C21H17NO2
  • H donors: 1 H acceptors: 2 LogP: 4.46 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)c1ccccc1
  • InChi: 1S/C21H17NO2/c1-15-6-5-9-18(14-15)21(24)22-19-12-10-17(11-13-19)20(23)16-7-3-2-4-8-16/h2-14H,1H3,(H,22,24)
  • InChiKey: SPLMDWPSHGSRBJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-(benzoyl)phenyl]-3-methyl-benzamide
  • 3-methyl-N-[4-(oxo-phenylmethyl)phenyl]benzamide
  • 3-methyl-N-(4-phenylcarbonylphenyl)benzamide
  • N-(4-benzoylphenyl)-3-methylbenzamide
  • SMR000477046
  • Oprea1_135856
  • STK065089
  • ZINC04160065
  • AN-329/10001036
  • Oprea1_677197
  • ARONIS016839
  • MLS001178712

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus 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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
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 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0082 0.2839 0.2839
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1793 0.1793
Schistosoma mansoni smad 0.0016 0.0279 0.0279
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.018 0.6609 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0268 1 1
Brugia malayi Latrophilin receptor protein 2 0.0038 0.113 0.113
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1793 0.1793
Echinococcus multilocularis tar DNA binding protein 0.0268 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0038 0.113 0.113
Schistosoma mansoni hypothetical protein 0.0038 0.113 0.113
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1793 0.1793
Echinococcus granulosus Smad4 0.0016 0.0279 0.0279
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0871 0.5
Schistosoma mansoni smad1 5 8 and 0.0016 0.0279 0.0279
Brugia malayi isocitrate dehydrogenase 0.0031 0.0871 0.0871
Loa Loa (eye worm) isocitrate dehydrogenase 0.0031 0.0871 0.0871
Brugia malayi N-terminal motif family protein 0.018 0.6609 0.6609
Loa Loa (eye worm) MH2 domain-containing protein 0.0236 0.8776 0.8776
Schistosoma mansoni hypothetical protein 0.0038 0.113 0.113
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.4311 0.4311
Schistosoma mansoni Smad4 0.0016 0.0279 0.0279
Brugia malayi Smad1 0.0016 0.0279 0.0279
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0279 0.0279
Brugia malayi TAR-binding protein 0.0268 1 1
Loa Loa (eye worm) TAR-binding protein 0.0268 1 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0031 0.0871 0.0871
Brugia malayi MH1 domain containing protein 0.0009 0.0001 0.0001
Brugia malayi MH1 domain containing protein 0.0016 0.0279 0.0279
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0871 1
Schistosoma mansoni hypothetical protein 0.0038 0.113 0.113
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0871 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1793 0.1793
Schistosoma mansoni tar DNA-binding protein 0.0268 1 1
Loa Loa (eye worm) hypothetical protein 0.012 0.4311 0.4311
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0279 0.0279
Brugia malayi RNA recognition motif domain containing protein 0.0268 1 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0031 0.0871 0.5
Schistosoma mansoni hypothetical protein 0.0082 0.2839 0.2839
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.2839 0.2839
Echinococcus multilocularis isocitrate dehydrogenase 0.0031 0.0871 0.0871
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0871 0.0871
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0279 0.0279
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0871 0.0871
Brugia malayi MH2 domain containing protein 0.0016 0.0279 0.0279
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0279 0.0279
Schistosoma mansoni tar DNA-binding protein 0.0268 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0236 0.8776 0.8776
Loa Loa (eye worm) RNA binding protein 0.0268 1 1
Brugia malayi Isocitrate dehydrogenase 0.0031 0.0871 0.0871
Brugia malayi MH2 domain containing protein 0.0236 0.8776 0.8776
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.113 0.113
Brugia malayi MH1 domain containing protein 0.0009 0.0001 0.0001
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0031 0.0871 0.5
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0279 0.0279
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1793 0.1793
Loa Loa (eye worm) hypothetical protein 0.0009 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.018 0.6609 0.6609
Echinococcus granulosus smad 0.0016 0.0279 0.0279
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.4311 0.4311
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1793 0.1793
Echinococcus granulosus GPCR family 2 0.0038 0.113 0.113
Schistosoma mansoni smad1 5 8 and 0.0016 0.0279 0.0279
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0871 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.113 0.113
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0279 0.0279
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.113 0.113
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0038 0.113 0.113
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0871 1
Echinococcus multilocularis GPCR, family 2 0.0038 0.113 0.113
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.4311 0.4311
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0031 0.0871 0.0871
Schistosoma mansoni smad1 5 8 and 0.0016 0.0279 0.0279
Echinococcus granulosus tar DNA binding protein 0.0268 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.113 0.113
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1793 0.1793
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0031 0.0871 0.5
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0031 0.0871 0.0871
Echinococcus multilocularis Smad4 0.0016 0.0279 0.0279
Schistosoma mansoni hypothetical protein 0.0038 0.113 0.113
Brugia malayi MH2 domain containing protein 0.0016 0.0279 0.0279
Loa Loa (eye worm) Smad1 0.0016 0.0279 0.0279
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0279 0.0279
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1793 0.1793
Brugia malayi MH1 domain containing protein 0.0016 0.0279 0.0279
Schistosoma mansoni tar DNA-binding protein 0.0268 1 1
Schistosoma mansoni tar DNA-binding protein 0.0268 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.113 0.113
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0871 0.0871
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1793 0.1793
Loa Loa (eye worm) nuclear factor I 0.0009 0.0001 0.0001
Schistosoma mansoni tar DNA-binding protein 0.0268 1 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0031 0.0871 0.5
Echinococcus multilocularis smad 0.0016 0.0279 0.0279
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0031 0.0871 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] 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) 35.4813 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) 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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