Detailed information for compound 1481758

Basic information

Technical information
  • TDR Targets ID: 1481758
  • Name: 3-(2-chlorophenyl)-5-methyl-N-[2-(3-oxo-1H-is oindol-2-yl)ethyl]-1,2-oxazole-4-carboxamide
  • MW: 395.839 | Formula: C21H18ClN3O3
  • H donors: 1 H acceptors: 3 LogP: 3.06 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c(C)onc1c1ccccc1Cl)NCCN1Cc2c(C1=O)cccc2
  • InChi: 1S/C21H18ClN3O3/c1-13-18(19(24-28-13)16-8-4-5-9-17(16)22)20(26)23-10-11-25-12-14-6-2-3-7-15(14)21(25)27/h2-9H,10-12H2,1H3,(H,23,26)
  • InChiKey: GQDLSUKOACRNBG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(2-chlorophenyl)-5-methyl-N-[2-(1-oxoisoindolin-2-yl)ethyl]isoxazole-4-carboxamide
  • 3-(2-chlorophenyl)-5-methyl-N-[2-(1-oxo-2-isoindolinyl)ethyl]-4-isoxazolecarboxamide
  • 3-(2-chlorophenyl)-N-[2-(1-ketoisoindolin-2-yl)ethyl]-5-methyl-isoxazole-4-carboxamide
  • Oprea1_266665
  • ZINC00778707
  • ST5432298
  • MLS000112879
  • SMR000108787
  • Oprea1_140995

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
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 Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
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
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, 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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
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
Onchocerca volvulus Tankyrase homolog 0.0056 0.0000000081558 0.000000015717
Schistosoma mansoni sex comb on midleg homolog 0.0591 0.2889 0.2889
Brugia malayi Pre-SET motif family protein 0.0251 0.1055 0.2032
Echinococcus multilocularis tumor suppressor p53 binding protein 1 0.0728 0.3628 0.6089
Onchocerca volvulus 0.0062 0.003 0.0058
Echinococcus multilocularis Sterile alpha motif SAM 0.0056 0.0000000081558 0.000000013686
Schistosoma mansoni jumonji/arid domain-containing protein 0.0207 0.0815 0.0815
Loa Loa (eye worm) AIDA-1b 0.0056 0.0000000081558 0.000000015717
Echinococcus multilocularis chromobox protein 2 0.0438 0.2065 0.3464
Trypanosoma cruzi Kinesin-13 5, putative 0.0056 0 0.5
Loa Loa (eye worm) CHromoDomain protein family member 0.006 0.0022 0.0042
Plasmodium falciparum JmjC domain-containing protein, putative 0.0065 0.0046 0.5
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0213 0.0848 0.1635
Brugia malayi CHD4 protein 0.006 0.0022 0.0042
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1242 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0856 0.432 0.432
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.006 0.0022 0.0036
Echinococcus granulosus polycomb protein SCMH1 0.0591 0.2889 0.4848
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1055 0.2032
Echinococcus multilocularis polycomb protein SCMH1 0.0591 0.2889 0.4848
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0062 0.003 0.003
Schistosoma mansoni sex comb on midleg homolog 0.0591 0.2889 0.2889
Schistosoma mansoni hypothetical protein 0.0728 0.3628 0.3628
Loa Loa (eye worm) hypothetical protein 0.0056 0.0000000081558 0.000000015717
Brugia malayi mbt repeat family protein 0.1017 0.5189 1
Giardia lamblia Kinesin-13 0.0056 0 0.5
Echinococcus granulosus SAM and MBT domain containing protein 0.0856 0.432 0.725
Schistosoma mansoni chromodomain helicase DNA binding protein 0.006 0.0022 0.0022
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.1159 0.5959 1
Echinococcus granulosus histone acetyltransferase myst3 0.0091 0.0186 0.0313
Brugia malayi hypothetical protein 0.0056 0.0000000081558 0.000000015717
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.1017 0.5189 1
Loa Loa (eye worm) hypothetical protein 0.0213 0.0848 0.1635
Onchocerca volvulus 0.0286 0.1242 0.2394
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0213 0.0848 0.1424
Giardia lamblia Giardia trophozoite antigen GTA-1 0.0056 0 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.0002 0.0004
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0213 0.0848 0.1424
Trypanosoma brucei SAM domain (Sterile alpha motif), putative 0.0056 0 0.5
Loa Loa (eye worm) MBCTL1 0.0213 0.0848 0.1635
Schistosoma mansoni phd finger protein 0.0091 0.0186 0.0186
Loa Loa (eye worm) hypothetical protein 0.1017 0.5189 1
Echinococcus granulosus Sterile alpha motif SAM 0.0056 0.0000000081558 0.000000013686
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0059 0.0016 0.0504
Echinococcus multilocularis histone acetyltransferase myst3 0.0091 0.0186 0.0313
Brugia malayi AIDA-1b 0.0056 0.0000000081558 0.000000015717
Echinococcus granulosus histone acetyltransferase MYST2 0.0213 0.0848 0.1424
Schistosoma mansoni jumonji domain containing protein 0.0057 0.0002 0.0002
Schistosoma mansoni myelin transcription factor 1 myt1 0.0213 0.0848 0.0848
Onchocerca volvulus 0.0671 0.3322 0.6402
Loa Loa (eye worm) mbt repeat family protein 0.0615 0.3019 0.5818
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0254 0.1068 0.1792
Brugia malayi Shank2E 0.0056 0.0000000081558 0.000000015717
Echinococcus multilocularis histone acetyltransferase MYST2 0.0213 0.0848 0.1424
Trypanosoma cruzi hypothetical protein 0.0056 0 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.0002 0.0004
Echinococcus multilocularis lysine specific demethylase 5A 0.0172 0.0628 0.1055
Onchocerca volvulus 0.0056 0.0000000081558 0.000000015717
Loa Loa (eye worm) tnks protein 0.0056 0.0000000081558 0.000000015717
Brugia malayi mbt repeat family protein 0.0615 0.3019 0.5818
Onchocerca volvulus 0.0056 0.0000000081558 0.000000015717
Echinococcus multilocularis SAM and MBT domain containing protein 0.0856 0.432 0.725
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0254 0.1068 0.1792
Echinococcus granulosus chromobox protein 2 0.0438 0.2065 0.3464
Trypanosoma cruzi Kinesin-13 5, putative 0.0056 0 0.5
Toxoplasma gondii PLU-1 family protein 0.0098 0.0225 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0305 0.1343 0.2588
Schistosoma mansoni jumonji/arid domain-containing protein 0.0207 0.0815 0.0815
Trypanosoma brucei Present in the outer mitochondrial membrane proteome 24 0.0056 0 0.5
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.006 0.0022 0.0036
Echinococcus granulosus lysine specific demethylase 5A 0.0207 0.0815 0.1367
Echinococcus granulosus endonuclease exonuclease phosphatase 0.1159 0.5959 1
Brugia malayi jmjC domain containing protein 0.0057 0.0002 0.0005
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0072 0.0086 0.3694
Schistosoma mansoni chromobox protein 0.0438 0.2065 0.2065
Brugia malayi jmjC domain containing protein 0.0305 0.1343 0.2588
Plasmodium vivax JmjC domain containing protein 0.0065 0.0046 1
Echinococcus granulosus tumor suppressor p53 binding protein 1 0.0728 0.3628 0.6089
Onchocerca volvulus 0.0056 0.0000000081558 0.000000015717
Onchocerca volvulus 0.0056 0.0000000081558 0.000000015717

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0037 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) 1.122 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 11.2202 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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