Detailed information for compound 1459447

Basic information

Technical information
  • TDR Targets ID: 1459447
  • Name: N-(2-methoxy-5-methylphenyl)-4-[[2-(4-oxo-2-p yrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino] benzamide
  • MW: 466.553 | Formula: C24H26N4O4S
  • H donors: 2 H acceptors: 3 LogP: 2.83 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)c1ccc(cc1)NC(=O)CC1SC(=NC1=O)N1CCCC1)C
  • InChi: 1S/C24H26N4O4S/c1-15-5-10-19(32-2)18(13-15)26-22(30)16-6-8-17(9-7-16)25-21(29)14-20-23(31)27-24(33-20)28-11-3-4-12-28/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H,25,29)(H,26,30)
  • InChiKey: DJRAPNAOJRTHNX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-methoxy-5-methyl-phenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-thiazol-5-yl)acetyl]amino]benzamide
  • N-(2-methoxy-5-methylphenyl)-4-[[1-oxo-2-(4-oxo-2-1-pyrrolidinyl-5-thiazolyl)ethyl]amino]benzamide
  • 4-[[2-(4-keto-2-pyrrolidin-1-yl-thiazol-5-yl)acetyl]amino]-N-(2-methoxy-5-methyl-phenyl)benzamide
  • N-(2-methoxy-5-methyl-phenyl)-4-[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanoylamino]benzamide
  • MLS000057420
  • SMR000068401
  • T5341474
  • MLS000880019

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
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:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
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
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
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 lysophospholipase, putative 0.0227 0.6298 1
Plasmodium falciparum lysophospholipase, putative 0.0227 0.6298 1
Trypanosoma cruzi amidase, putative 0.004 0.0709 0.1127
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0227 0.6298 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.082 0.1301
Loa Loa (eye worm) amidase 0.004 0.0709 0.0753
Leishmania major hypothetical protein, conserved 0.004 0.0709 0.1127
Loa Loa (eye worm) lipase 0.014 0.3712 0.3938
Mycobacterium tuberculosis Possible lysophospholipase 0.0227 0.6298 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.082 0.0869
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.082 0.1301
Brugia malayi Amidase family protein 0.004 0.0709 0.0753
Mycobacterium ulcerans lysophospholipase 0.0227 0.6298 1
Schistosoma mansoni alpha glucosidase 0.0044 0.082 0.0123
Schistosoma mansoni alpha-glucosidase 0.0169 0.4579 0.4319
Echinococcus granulosus fatty acid amide hydrolase 1 0.0331 0.9427 0.9399
Trichomonas vaginalis lipase containing protein, putative 0.014 0.3712 0.5895
Trypanosoma brucei monoglyceride lipase, putative 0.0227 0.6298 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0227 0.6298 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1166 0.0492
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.082 0.1301
Trypanosoma cruzi hypothetical protein, conserved 0.014 0.3712 0.5895
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.082 0.1301
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.082 0.1301
Echinococcus granulosus transient receptor potential cation channel 0.035 0.9984 1
Trypanosoma brucei monoglyceride lipase, putative 0.0227 0.6298 1
Mycobacterium ulcerans hypothetical protein 0.0227 0.6298 1
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.014 0.3712 0.3237
Trypanosoma brucei lipase domain protein, putative 0.014 0.3712 0.5895
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1166 0.1237
Brugia malayi Lipase family protein 0.014 0.3712 0.3938
Leishmania major monoglyceride lipase, putative 0.0227 0.6298 1
Trichomonas vaginalis conserved hypothetical protein 0.0227 0.6298 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.082 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1166 0.1237
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.004 0.0709 0.5
Trypanosoma brucei lipase domain protein, putative 0.014 0.3712 0.5895
Plasmodium falciparum lysophospholipase, putative 0.0227 0.6298 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0331 0.9427 0.9729
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.082 0.1301
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0227 0.6298 1
Loa Loa (eye worm) amidase 0.004 0.0709 0.0753
Brugia malayi putative amidase 0.004 0.0709 0.0753
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1166 0.0509
Echinococcus granulosus fatty acid amide hydrolase 1 0.0331 0.9427 0.9399
Onchocerca volvulus 0.014 0.3712 1
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.004 0.0709 0.1127
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0331 0.9427 0.9384
Loa Loa (eye worm) hypothetical protein 0.0331 0.9427 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.082 0.1301
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.004 0.0709 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.082 0.1301
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0227 0.6298 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1166 0.0509
Plasmodium vivax PST-A protein 0.0227 0.6298 1
Trypanosoma cruzi monoglyceride lipase, putative 0.0227 0.6298 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.082 0.1301
Schistosoma mansoni amidase 0.0331 0.9427 0.9729
Onchocerca volvulus 0.0114 0.2917 0.7859
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0227 0.6298 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0331 0.9427 0.9384
Plasmodium falciparum esterase, putative 0.0227 0.6298 1
Leishmania major hypothetical protein, conserved 0.014 0.3712 0.5895
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.5399 0.5727
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.5399 0.5047
Schistosoma mansoni alpha-glucosidase 0.0169 0.4579 0.4319
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0227 0.6298 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.5399 0.5056
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.082 0.1301
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.082 0.1301
Brugia malayi amidase 0.0331 0.9427 1
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.034 0.967 1
Trypanosoma brucei glucosidase, putative 0.0044 0.082 0.1301
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.082 0.0119
Echinococcus granulosus ankyrin repeat protein 0.034 0.967 0.9661
Trichomonas vaginalis conserved hypothetical protein 0.0227 0.6298 1
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.014 0.3712 0.3232
Trichomonas vaginalis lipase containing protein, putative 0.014 0.3712 0.5895
Trypanosoma cruzi amidase, putative 0.004 0.0709 0.1127
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.082 0.0869
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0227 0.6298 1
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0227 0.6298 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1166 0.0492
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.5399 0.5047
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1166 0.0491
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0227 0.6298 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.082 0.0119
Echinococcus multilocularis ankyrin repeat protein 0.034 0.967 0.9644
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.082 0.1301
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1166 0.0491
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.004 0.0709 0.5
Brugia malayi Amidase family protein 0.004 0.0709 0.0753
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.082 0.1301
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.5399 0.5727
Trypanosoma cruzi hypothetical protein, conserved 0.014 0.3712 0.5895
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1166 0.0509
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.082 0.1301

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.0787 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) 6.3096 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 11.6891 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) 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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