Detailed information for compound 1364031

Basic information

Technical information
  • TDR Targets ID: 1364031
  • Name: 2-[1-(benzoyl)-3-oxo-2,4-dihydroquinoxalin-2- yl]-N-(2-methoxyphenyl)acetamide
  • MW: 415.441 | Formula: C24H21N3O4
  • H donors: 2 H acceptors: 3 LogP: 2.73 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1NC(=O)CC1C(=O)Nc2c(N1C(=O)c1ccccc1)cccc2
  • InChi: 1S/C24H21N3O4/c1-31-21-14-8-6-12-18(21)25-22(28)15-20-23(29)26-17-11-5-7-13-19(17)27(20)24(30)16-9-3-2-4-10-16/h2-14,20H,15H2,1H3,(H,25,28)(H,26,29)
  • InChiKey: TXDIYYBQTFYFSO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-methoxyphenyl)-2-[3-oxo-1-(oxo-phenylmethyl)-2,4-dihydroquinoxalin-2-yl]acetamide
  • 2-[1-(benzoyl)-3-keto-2,4-dihydroquinoxalin-2-yl]-N-(2-methoxyphenyl)acetamide
  • N-(2-methoxyphenyl)-2-(3-oxo-1-phenylcarbonyl-2,4-dihydroquinoxalin-2-yl)ethanamide
  • AK-918/41613061
  • IDI1_033389
  • BAS 07214195
  • STK275341
  • EU-0082516
  • Oprea1_705220
  • MLS000687928
  • SMR000291603
  • TimTec1_007735

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) transcription factor SMAD2 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
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
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 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Carboxyl transferase domain containing protein 0.3287 0.9595 0.5
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.1297 0.2839 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.1263 0.1263
Toxoplasma gondii pyruvate carboxylase 0.1297 0.2839 0.2839
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1297 0.2839 0.5074
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.3406 1 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1297 0.2839 0.5074
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1297 0.2839 0.2839
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.1297 0.2839 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1297 0.2839 0.2839
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.1297 0.2839 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.1297 0.2839 1
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.3406 1 1
Mycobacterium ulcerans pyruvate carboxylase 0.1297 0.2839 1
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.1297 0.2839 0.2839
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.1297 0.2839 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.1263 0.1263
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.1297 0.2839 1
Leishmania major carboxylase, putative 0.1297 0.2839 0.2839
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.1297 0.2839 0.2839
Trypanosoma brucei unspecified product 0.0853 0.1329 0.1329
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.2465 0.6803 0.5
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.1297 0.2839 1
Trypanosoma cruzi acetyl-CoA carboxylase 0.2109 0.5594 1
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0581 0.0405 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.1263 0.1263
Schistosoma mansoni pyruvate carboxylase 0.1297 0.2839 0.2839
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.1297 0.2839 0.2839
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.2465 0.6803 0.5
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.3287 0.9595 0.5
Leishmania major acetyl-CoA carboxylase, putative 0.3406 1 1
Schistosoma mansoni acetyl-CoA carboxylase 0.3406 1 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1297 0.2839 0.2839
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.3406 1 1
Chlamydia trachomatis biotin carboxylase 0.1178 0.2433 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1297 0.2839 0.2839
Trypanosoma brucei acetyl-CoA carboxylase 0.3406 1 1
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0581 0.0405 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3548 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 1.1689 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) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] 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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