Detailed information for compound 1104374

Basic information

Technical information
  • TDR Targets ID: 1104374
  • Name: 4-furan-3-yl-1,2-dimethyl-5-quinoxalin-6-ylpy razol-3-one
  • MW: 306.319 | Formula: C17H14N4O2
  • H donors: 0 H acceptors: 3 LogP: 1.68 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1c(=O)c(c(n1C)c1ccc2c(c1)nccn2)c1cocc1
  • InChi: 1S/C17H14N4O2/c1-20-16(11-3-4-13-14(9-11)19-7-6-18-13)15(17(22)21(20)2)12-5-8-23-10-12/h3-10H,1-2H3
  • InChiKey: BQWIIBFNFPILEU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(3-furyl)-1,2-dimethyl-5-quinoxalin-6-yl-pyrazol-3-one
  • 4-(3-furyl)-1,2-dimethyl-5-(6-quinoxalinyl)-3-pyrazolone
  • 4-furan-3-yl-1,2-dimethyl-5-quinoxalin-6-yl-pyrazol-3-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens activin A receptor, type IB Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi bone morphogenetic protein type 1 receptor Get druggable targets OG5_129709 All targets in OG5_129709
Echinococcus granulosus TGF beta receptor type 1 Get druggable targets OG5_129709 All targets in OG5_129709
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase Get druggable targets OG5_129709 All targets in OG5_129709
Schistosoma mansoni protein kinase Get druggable targets OG5_129709 All targets in OG5_129709
Echinococcus multilocularis TGF beta receptor type 1 Get druggable targets OG5_129709 All targets in OG5_129709
Schistosoma japonicum ko:K04674 transforming growth factor, beta receptor I, putative Get druggable targets OG5_129709 All targets in OG5_129709
Echinococcus granulosus TGF-beta receptor type-1 Get druggable targets OG5_129709 All targets in OG5_129709
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tar DNA-binding protein 0.0127 0.4338 0.5983
Brugia malayi hypothetical protein 0.0074 0.1919 0.2179
Entamoeba histolytica hypothetical protein 0.0036 0.0237 0.5
Mycobacterium ulcerans beta-lactamase 0.0036 0.025 0.5
Loa Loa (eye worm) TAR-binding protein 0.0127 0.4338 0.5002
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0232 0.9039 1
Brugia malayi beta-lactamase 0.0036 0.025 0.023
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.4338 0.5002
Brugia malayi beta-lactamase family protein 0.0036 0.025 0.023
Toxoplasma gondii ABC1 family protein 0.0036 0.025 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.025 0.023
Echinococcus multilocularis TGF beta receptor type 1 0.0191 0.7215 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0237 0.0257
Echinococcus granulosus activin receptor type 0.0086 0.2501 0.3466
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.025 0.023
Echinococcus multilocularis tar DNA binding protein 0.0127 0.4338 0.5983
Schistosoma mansoni tar DNA-binding protein 0.0127 0.4338 0.5983
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.0074 0.1932 0.2194
Brugia malayi bone morphogenetic protein type 1 receptor 0.0191 0.7202 0.8347
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0053 0.0073
Brugia malayi RNA binding protein 0.0127 0.4338 0.5002
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.025 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.025 0.0346
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.025 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.025 0.0275
Brugia malayi Pre-SET motif family protein 0.0223 0.8618 1
Echinococcus granulosus TGF-beta receptor type-1 0.0191 0.7215 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.025 0.0275
Leishmania major hypothetical protein, conserved 0.0036 0.025 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.0237 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.025 0.023
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.4338 0.5002
Schistosoma mansoni tar DNA-binding protein 0.0127 0.4338 0.5983
Echinococcus granulosus tar DNA binding protein 0.0127 0.4338 0.6012
Plasmodium vivax hypothetical protein, conserved 0.0036 0.025 1
Mycobacterium leprae Probable lipase LipE 0.0036 0.025 0.5
Brugia malayi hypothetical protein 0.0036 0.0237 0.0215
Brugia malayi protein C17H12.11 0.0074 0.1919 0.2179
Mycobacterium ulcerans hypothetical protein 0.0036 0.025 0.5
Loa Loa (eye worm) RNA binding protein 0.0127 0.4338 0.5002
Mycobacterium ulcerans lipase LipD 0.0036 0.025 0.5
Loa Loa (eye worm) TKL/STKR/TYPE2 protein kinase 0.0074 0.1932 0.2194
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.0191 0.7202 0.8347
Schistosoma mansoni tar DNA-binding protein 0.0127 0.4338 0.5983
Onchocerca volvulus 0.0036 0.025 0.0198
Echinococcus multilocularis activin receptor type 0.0086 0.2501 0.3418
Schistosoma mansoni protein kinase 0.0086 0.2488 0.3401
Schistosoma mansoni hypothetical protein 0.0036 0.0237 0.0257
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.025 0.5
Loa Loa (eye worm) beta-lactamase 0.0036 0.025 0.023
Loa Loa (eye worm) hypothetical protein 0.0074 0.1919 0.2179
Echinococcus granulosus TGF beta receptor type 1 0.0191 0.7215 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.025 0.023
Loa Loa (eye worm) hypothetical protein 0.0036 0.025 0.023
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0223 0.8618 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.025 0.023
Schistosoma mansoni protein kinase 0.0191 0.7215 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0237 0.0328
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0237 0.0257
Entamoeba histolytica hypothetical protein 0.0036 0.0237 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.0237 0.5
Echinococcus multilocularis serine:threonine protein kinase receptor R3 0.0086 0.2501 0.3418
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.025 0.5
Trichomonas vaginalis set domain proteins, putative 0.0254 1 1
Onchocerca volvulus 0.0036 0.025 0.0198
Brugia malayi beta-lactamase family protein 0.0036 0.025 0.023
Schistosoma mansoni tar DNA-binding protein 0.0127 0.4338 0.5983
Mycobacterium leprae conserved hypothetical protein 0.0036 0.025 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.025 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.025 0.023
Onchocerca volvulus 0.0036 0.025 0.0198
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.025 0.0275
Loa Loa (eye worm) hypothetical protein 0.0036 0.025 0.023
Brugia malayi Protein kinase domain containing protein 0.0074 0.1932 0.2194
Brugia malayi TAR-binding protein 0.0127 0.4338 0.5002

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10 uM Inhibition of TGFR-1 in human HepG2 cells expressing PAI-luciferase by luciferase reporter gene assay ChEMBL. 19914068
Ki (binding) = 0.073 uM Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting ChEMBL. 19914068

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

1 literature reference was collected for this gene.

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