Detailed information for compound 1434320

Basic information

Technical information
  • TDR Targets ID: 1434320
  • Name: ZINC01125145
  • MW: 432.472 | Formula: C24H24N4O4
  • H donors: 0 H acceptors: 5 LogP: 2.9 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(N(C(=O)CCN1C(=O)c2c(C1=O)cccc2)Cc1onc(n1)c1ccc(cc1)C)C
  • InChi: 1S/C24H24N4O4/c1-15(2)28(14-20-25-22(26-32-20)17-10-8-16(3)9-11-17)21(29)12-13-27-23(30)18-6-4-5-7-19(18)24(27)31/h4-11,15H,12-14H2,1-3H3
  • InChiKey: ILVRWPMGHFXCKI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • STK322708
  • MLS000049843
  • SMR000077993
  • 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-isopropyl-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}propanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 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
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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, 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
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 guanine nucleotide binding protein G(s) 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
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 granulosus guanine nucleotide binding protein Gs subunit 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
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
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
Brugia malayi hypothetical protein 0.0073 0.0356 0.0356
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0073 0.0356 0.0356
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0383 0.6497 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0383 0.6497 1
Plasmodium falciparum lysophospholipase, putative 0.0383 0.6497 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0073 0.0356 0.0356
Leishmania major monoglyceride lipase, putative 0.0383 0.6497 1
Trichomonas vaginalis conserved hypothetical protein 0.0383 0.6497 1
Mycobacterium ulcerans lysophospholipase 0.0383 0.6497 1
Echinococcus multilocularis aminopeptidase N 0.0249 0.3839 0.3839
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0073 0.0356 0.0183
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0073 0.0356 0.0356
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0067 0.0242 0.0242
Loa Loa (eye worm) amidase 0.0067 0.0242 0.0242
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0559 1 1
Loa Loa (eye worm) hypothetical protein 0.0223 0.3328 0.3328
Mycobacterium ulcerans hypothetical protein 0.0383 0.6497 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0073 0.0356 0.0183
Mycobacterium ulcerans aminopeptidase N PepN 0.0073 0.0356 0.0183
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0073 0.0356 0.0356
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0067 0.0242 0.0242
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0073 0.0356 0.0356
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0559 1 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0073 0.0356 0.0356
Brugia malayi Peptidase family M1 containing protein 0.0249 0.3839 0.3839
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0383 0.6497 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0067 0.0242 0.0242
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0073 0.0356 0.0356
Plasmodium falciparum lysophospholipase, putative 0.0383 0.6497 1
Trichomonas vaginalis conserved hypothetical protein 0.0383 0.6497 1
Trypanosoma brucei monoglyceride lipase, putative 0.0383 0.6497 1
Plasmodium falciparum esterase, putative 0.0383 0.6497 1
Plasmodium falciparum lysophospholipase, putative 0.0383 0.6497 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0067 0.0242 0.0242
Brugia malayi Amidase family protein 0.0067 0.0242 0.0242
Echinococcus granulosus fatty acid amide hydrolase 1 0.0559 1 1
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0067 0.0242 0.0242
Brugia malayi Peptidase family M1 containing protein 0.0073 0.0356 0.0356
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0067 0.0242 0.5
Loa Loa (eye worm) aminopeptidase N 0.0073 0.0356 0.0356
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0073 0.0356 0.0356
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0073 0.0356 0.0356
Loa Loa (eye worm) amidase 0.0067 0.0242 0.0242
Mycobacterium tuberculosis Possible lysophospholipase 0.0383 0.6497 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0073 0.0356 0.0183
Loa Loa (eye worm) hypothetical protein 0.0175 0.2386 0.2386
Brugia malayi putative amidase 0.0067 0.0242 0.0242
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0383 0.6497 1
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0073 0.0356 0.0356
Schistosoma mansoni fatty-acid amide hydrolase 0.0067 0.0242 0.0242
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0383 0.6497 1
Plasmodium vivax PST-A protein 0.0383 0.6497 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0559 1 1
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0067 0.0242 0.5
Schistosoma mansoni amidase 0.0559 1 1
Trypanosoma cruzi monoglyceride lipase, putative 0.0383 0.6497 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0073 0.0356 0.0356
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0073 0.0356 0.0356
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0383 0.6497 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0073 0.0356 0.0183
Brugia malayi Amidase family protein 0.0067 0.0242 0.0242
Trypanosoma cruzi aminopeptidase, putative 0.0073 0.0356 0.0183
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0073 0.0356 0.0183
Loa Loa (eye worm) peptidase family M1 containing protein 0.0201 0.2897 0.2897
Schistosoma mansoni fatty-acid amide hydrolase 0.0559 1 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0073 0.0356 0.0183
Loa Loa (eye worm) hypothetical protein 0.0559 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0383 0.6497 1
Echinococcus granulosus aminopeptidase N 0.0249 0.3839 0.3839
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0383 0.6497 1
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0067 0.0242 0.5
Trypanosoma brucei monoglyceride lipase, putative 0.0383 0.6497 1
Onchocerca volvulus 0.0249 0.3839 1
Trypanosoma cruzi Aminopeptidase M1, putative 0.0073 0.0356 0.0183
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0383 0.6497 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0116 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) 7.9433 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 Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (binding) = 50.1187 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

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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