Detailed information for compound 1301331

Basic information

Technical information
  • TDR Targets ID: 1301331
  • Name: 4-(benzoylamino)-N-methyl-N-(phenylmethyl)ben zamide
  • MW: 344.406 | Formula: C22H20N2O2
  • H donors: 1 H acceptors: 2 LogP: 3.71 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)NC(=O)c1ccccc1)N(Cc1ccccc1)C
  • InChi: 1S/C22H20N2O2/c1-24(16-17-8-4-2-5-9-17)22(26)19-12-14-20(15-13-19)23-21(25)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,23,25)
  • InChiKey: MRGZXRNEUSQGPR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-methyl-4-[(oxo-phenylmethyl)amino]-N-(phenylmethyl)benzamide
  • 4-(benzoylamino)-N-(benzyl)-N-methyl-benzamide
  • N-methyl-4-(phenylcarbonylamino)-N-(phenylmethyl)benzamide
  • ZINC01075342

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 ataxin 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
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
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 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0792 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1962 0.5134
Loa Loa (eye worm) hypothetical protein 0.0092 0.37 0.3158
Leishmania major hypothetical protein, conserved 0.003 0.0792 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1962 0.6573
Brugia malayi hypothetical protein 0.003 0.0792 0.0524
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0792 0.5
Brugia malayi hypothetical protein 0.0074 0.2863 0.2655
Echinococcus granulosus jun protein 0.0095 0.3822 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0095 0.3822 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1962 0.5134
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0792 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1962 0.1271
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0792 0.5
Onchocerca volvulus 0.0074 0.2863 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0792 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1962 0.1728
Schistosoma mansoni jun-related protein 0.0077 0.2986 1
Echinococcus multilocularis jun protein 0.0095 0.3822 1
Brugia malayi bZIP transcription factor family protein 0.0095 0.3822 0.3642
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0792 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1962 0.5134
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1962 0.5134
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0792 0.5
Schistosoma mansoni hypothetical protein 0.0077 0.2986 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1962 0.6573
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0095 0.3822 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0226 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1962 0.6573

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2589 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 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) 13.1154 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.