Detailed information for compound 1399475

Basic information

Technical information
  • TDR Targets ID: 1399475
  • Name: N-methyl-N-[4-[2-oxo-2-(phenylamino)ethyl]-1, 3-thiazol-2-yl]furan-2-carboxamide
  • MW: 341.384 | Formula: C17H15N3O3S
  • H donors: 1 H acceptors: 3 LogP: 2.51 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1csc(n1)N(C(=O)c1ccco1)C)Nc1ccccc1
  • InChi: 1S/C17H15N3O3S/c1-20(16(22)14-8-5-9-23-14)17-19-13(11-24-17)10-15(21)18-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,18,21)
  • InChiKey: MLCOOKDZNXASLZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-methyl-N-[4-[2-oxo-2-(phenylamino)ethyl]thiazol-2-yl]furan-2-carboxamide
  • N-methyl-N-[4-[2-oxo-2-(phenylamino)ethyl]-2-thiazolyl]-2-furancarboxamide
  • N-[4-[2-keto-2-(phenylamino)ethyl]thiazol-2-yl]-N-methyl-2-furamide
  • Oprea1_282438
  • ZINC00415384
  • Oprea1_020245
  • MLS000527398
  • SMR000117872
  • ASN 04394270
  • Furan-2-carboxylic acid methyl-(4-phenylcarbamoylmethyl-thiazol-2-yl)-amide

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 GNAS complex locus Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
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
Echinococcus granulosus guanine nucleotide binding protein Gs 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
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
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) pre-SET domain-containing protein 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
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
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
Loa Loa (eye worm) hypothetical protein 0.0041 0.0287 0.1038
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3178 0.0405
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.045 0.1181
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.045 0.1181
Mycobacterium ulcerans putative transglutaminase-like protein 0.0325 0.3642 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.3158 1
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0263 0.0667
Mycobacterium tuberculosis Conserved hypothetical protein 0.0325 0.3642 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0489 0.1768
Schistosoma mansoni survival motor neuron protein 0.0047 0.0352 0.091
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.045 0.1181
Brugia malayi hypothetical protein 0.023 0.2516 0.6836
Treponema pallidum fructose-bisphosphate aldolase 0.0284 0.3158 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0225 0.056
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.3158 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0419 0.1097
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.021 0.052
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0263 0.0667
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0483 0.1275
Giardia lamblia Hypothetical protein 0.0325 0.3642 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0207 0.0512
Loa Loa (eye worm) hypothetical protein 0.004 0.0265 0.0959
Mycobacterium tuberculosis Conserved hypothetical protein 0.0325 0.3642 1
Plasmodium falciparum phd finger protein, putative 0.0028 0.0132 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.045 0.1625
Schistosoma mansoni hypothetical protein 0.0047 0.0352 0.091
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.031 0.0796
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.031 0.0796
Brugia malayi Bromodomain containing protein 0.0037 0.0237 0.0433
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0223 0.0555
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.0895 0.2411
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0056 0.0094
Brugia malayi Pre-SET motif family protein 0.0251 0.2767 0.7541
Schistosoma mansoni hypothetical protein 0.0028 0.0132 0.0304
Mycobacterium tuberculosis Conserved protein 0.0325 0.3642 1
Mycobacterium tuberculosis Hypothetical protein 0.0325 0.3642 1
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0132 0.0477
Echinococcus multilocularis peregrin 0.0031 0.0159 0.0379
Plasmodium vivax SET domain protein, putative 0.0036 0.0223 1
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0669 0.1788
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.031 0.0796
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.021 0.052
Loa Loa (eye worm) hypothetical protein 0.023 0.2516 0.9093
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.045 0.1181
Onchocerca volvulus 0.0036 0.0223 0.0092
Onchocerca volvulus 0.0047 0.0352 0.0222
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0223 0.0555
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0132 0.0304
Echinococcus granulosus peregrin 0.0031 0.0159 0.0379
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0132 0.0304
Giardia lamblia Transglutaminase/protease, putative 0.0325 0.3642 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.061 0.2205
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.045 0.1181
Schistosoma mansoni bromodomain containing protein 0.0062 0.0525 0.1388
Brugia malayi hypothetical protein 0.0043 0.031 0.0638
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0034 0.0123
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0203 0.0499
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.0895 0.2411
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0352 0.0754
Loa Loa (eye worm) hypothetical protein 0.0037 0.0238 0.086
Brugia malayi jmjC domain containing protein 0.0036 0.0225 0.0397
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.045 0.1029
Brugia malayi Bromodomain containing protein 0.0073 0.0659 0.1619
Giardia lamblia Fructose-bisphosphate aldolase 0.0284 0.3158 0.8621
Brugia malayi Bromodomain containing protein 0.0031 0.0159 0.0214
Mycobacterium leprae Conserved hypothetical protein 0.0325 0.3642 1
Schistosoma mansoni hypothetical protein 0.0043 0.031 0.0796
Mycobacterium leprae Conserved hypothetical protein 0.0325 0.3642 1
Schistosoma mansoni hypothetical protein 0.0325 0.3642 1
Echinococcus granulosus Transglutaminase 0.0325 0.3642 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0372 0.1343
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0225 0.056
Mycobacterium ulcerans transglutaminase family protein 0.0325 0.3642 1
Mycobacterium tuberculosis Long conserved protein 0.0325 0.3642 1
Schistosoma mansoni hypothetical protein 0.002 0.0034 0.0034
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0053 0.0419 0.1097
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.2516 0.689
Echinococcus multilocularis Transglutaminase 0.0325 0.3642 1
Trichomonas vaginalis peptide N-glycanase, putative 0.0325 0.3642 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2767 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0056 0.0094
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0056 0.0094
Loa Loa (eye worm) hypothetical protein 0.0053 0.0419 0.1514
Brugia malayi Thioredoxin family protein 0.0325 0.3642 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0419 0.1097
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0132 0.0304
Brugia malayi Pre-SET motif family protein 0.0036 0.0223 0.0392
Brugia malayi jmjC domain containing protein 0.0093 0.0895 0.2281
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.045 0.1181
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0225 0.056
Echinococcus granulosus histone lysine methyltransferase setb 0.0053 0.0419 0.1097
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0483 0.1275
Onchocerca volvulus 0.0286 0.3178 0.3086
Brugia malayi PHD-finger family protein 0.0028 0.0132 0.0137
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0223 0.0555
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.045 0.1181
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0223 1
Echinococcus granulosus survival motor neuron protein 1 0.023 0.2516 0.689
Mycobacterium ulcerans hypothetical protein 0.0325 0.3642 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0132 0.0477
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0225 0.0812
Mycobacterium ulcerans hypothetical protein 0.0325 0.3642 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 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) 10.3225 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 15.8489 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) 22.3872 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 39.8107 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) = 39.8107 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

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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