Detailed information for compound 1364324

Basic information

Technical information
  • TDR Targets ID: 1364324
  • Name: N-(2-ethyl-6-methylphenyl)-2,5-dimethylfuran- 3-carboxamide
  • MW: 257.328 | Formula: C16H19NO2
  • H donors: 1 H acceptors: 1 LogP: 3.78 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1cccc(c1NC(=O)c1cc(oc1C)C)C
  • InChi: 1S/C16H19NO2/c1-5-13-8-6-7-10(2)15(13)17-16(18)14-9-11(3)19-12(14)4/h6-9H,5H2,1-4H3,(H,17,18)
  • InChiKey: BITJWLWHJWDSOG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-ethyl-6-methyl-phenyl)-2,5-dimethyl-furan-3-carboxamide
  • N-(2-ethyl-6-methylphenyl)-2,5-dimethyl-3-furancarboxamide
  • N-(2-ethyl-6-methyl-phenyl)-2,5-dimethyl-3-furamide
  • IVK/9487418
  • N-(2-ethyl-6-methylphenyl)-2,5-dimethyl-3-furamide
  • SDCCGMLS-0038964.P002
  • MLS000066309
  • ZINC01056076
  • SMR000080741

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens huntingtin 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
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
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
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
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
Echinococcus granulosus cyclin dependent kinase 0.0319 0.65 0.65
Trichomonas vaginalis AGC family protein kinase 0.0407 0.8668 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.5682 0.5682
Schistosoma mansoni serine/threonine protein kinase 0.0319 0.65 0.7498
Brugia malayi Protein kinase domain containing protein 0.0407 0.8668 1
Trichomonas vaginalis CMGC family protein kinase 0.0319 0.65 0.3457
Echinococcus granulosus geminin 0.0163 0.2664 0.2664
Echinococcus multilocularis neuropeptide receptor A26 0.0461 1 1
Brugia malayi cell division control protein 2 homolog 0.0319 0.65 0.7498
Brugia malayi glutaminase DH11.1 0.0272 0.5354 0.6177
Brugia malayi phosphoinositide-dependent protein kinase I 0.0407 0.8668 1
Echinococcus multilocularis cyclin dependent kinase 5 0.0319 0.65 0.65
Loa Loa (eye worm) hypothetical protein 0.0148 0.2287 0.2638
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0319 0.65 0.5
Mycobacterium ulcerans glutaminase 0.0272 0.5354 0.5
Trichomonas vaginalis AGC family protein kinase 0.0407 0.8668 1
Schistosoma mansoni hypothetical protein 0.0163 0.2664 0.3073
Schistosoma mansoni hypothetical protein 0.0058 0.0074 0.0086
Loa Loa (eye worm) hypothetical protein 0.0286 0.5682 0.6555
Echinococcus granulosus cyclin dependent kinase 5 0.0319 0.65 0.65
Trypanosoma brucei cdc2-related kinase 1 0.0319 0.65 0.5
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0319 0.65 0.5
Onchocerca volvulus Huntingtin homolog 0.0148 0.2287 1
Loa Loa (eye worm) glutaminase 2 0.0272 0.5354 0.6177
Onchocerca volvulus Huntingtin homolog 0.0148 0.2287 1
Giardia lamblia Kinase, CMGC CDK 0.0319 0.65 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.4289 0.5
Loa Loa (eye worm) hypothetical protein 0.0312 0.6323 0.7294
Trichomonas vaginalis AGC family protein kinase 0.0407 0.8668 1
Trypanosoma cruzi cdc2-related kinase 1 0.0319 0.65 0.5
Brugia malayi Cytochrome P450 family protein 0.0096 0.0995 0.1148
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0319 0.65 0.7498
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0319 0.65 0.7498
Plasmodium vivax protein kinase Crk2 0.0319 0.65 0.5
Schistosoma mansoni survival motor neuron protein 0.0058 0.0074 0.0086
Trypanosoma cruzi cdc2-related kinase 3 0.0319 0.65 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0319 0.65 0.7498
Loa Loa (eye worm) glutaminase 0.0272 0.5354 0.6177
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0407 0.8668 0.8668
Echinococcus multilocularis cyclin dependent kinase 1 0.0319 0.65 0.65
Plasmodium falciparum protein kinase 5 0.0319 0.65 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0319 0.65 0.3457
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0407 0.8668 0.8668
Trypanosoma cruzi cdc2-related kinase 3 0.0319 0.65 0.5
Schistosoma mansoni hypothetical protein 0.0163 0.2664 0.3073
Loa Loa (eye worm) cytochrome P450 family protein 0.0096 0.0995 0.1148
Echinococcus multilocularis neuropeptide s receptor 0.0461 1 1
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0319 0.65 0.5
Trypanosoma cruzi cdc2-related kinase 1 0.0319 0.65 0.5
Trypanosoma brucei cdc2-related kinase 3 0.0319 0.65 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0407 0.8668 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0319 0.65 0.65
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0407 0.8668 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.2287 0.2638
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.5682 0.5682
Echinococcus granulosus cyclin dependent kinase 1 0.0319 0.65 0.65
Brugia malayi hypothetical protein 0.0148 0.2287 0.2638
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0074 0.0086
Trichomonas vaginalis CMGC family protein kinase 0.0319 0.65 0.3457
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0319 0.65 0.7498
Echinococcus multilocularis geminin 0.0163 0.2664 0.2664
Giardia lamblia Kinase, CMGC CDK 0.0319 0.65 0.5
Echinococcus multilocularis cyclin dependent kinase 0.0319 0.65 0.65
Brugia malayi Protein kinase domain containing protein 0.0319 0.65 0.7498
Brugia malayi hypothetical protein 0.0286 0.5682 0.6555
Entamoeba histolytica protein kinase, putative 0.0407 0.8668 1
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0407 0.8668 1
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0319 0.65 0.65
Schistosoma mansoni glutaminase 0.0272 0.5354 0.6177
Echinococcus granulosus neuropeptide receptor A26 0.0461 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 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) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 5.2213 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (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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