Detailed information for compound 266217

Basic information

Technical information
  • TDR Targets ID: 266217
  • Name: (E)-3-[2-amino-3-[4-fluoro-2-(trifluoromethyl )phenyl]imidazo[1,2-a]pyridin-6-yl]-N-methyl- 3-phenylprop-2-enamide
  • MW: 454.42 | Formula: C24H18F4N4O
  • H donors: 2 H acceptors: 2 LogP: 5.65 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)/C=C(/c1ccc2n(c1)c(c(n2)N)c1ccc(cc1C(F)(F)F)F)\c1ccccc1
  • InChi: 1S/C24H18F4N4O/c1-30-21(33)12-18(14-5-3-2-4-6-14)15-7-10-20-31-23(29)22(32(20)13-15)17-9-8-16(25)11-19(17)24(26,27)28/h2-13H,29H2,1H3,(H,30,33)/b18-12+
  • InChiKey: JDYMZBVODYQDIW-LDADJPATSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-3-[2-amino-3-[4-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-N-methyl-3-phenyl-prop-2-enamide
  • (E)-3-[2-amino-3-[4-fluoro-2-(trifluoromethyl)phenyl]-6-imidazo[1,2-a]pyridinyl]-N-methyl-3-phenyl-2-propenamide
  • (E)-3-[2-azanyl-3-[4-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-N-methyl-3-phenyl-prop-2-enamide
  • (E)-3-[2-amino-3-[4-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-N-methyl-3-phenyl-acrylamide
  • 2-Propenamide, 3-[2-amino-3-[4-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-N-methyl-3-phenyl-, (2E)-
  • AIDS-211440
  • AIDS211440

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 mannose-6-phosphate isomerase 0.0096 0.2562 0.3796
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0141 0.4869 0.7434
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0141 0.4869 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.1002 0.1002
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0141 0.4869 0.7434
Brugia malayi calpain family protein 1 0.0065 0.1002 0.086
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0096 0.2562 0.2444
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0069 0.1175 0.1607
Echinococcus multilocularis geminin 0.0172 0.6495 0.6495
Toxoplasma gondii prolyl endopeptidase 0.0141 0.4869 1
Loa Loa (eye worm) calpain family protein 1 0.0065 0.1002 0.1002
Schistosoma mansoni hypothetical protein 0.0172 0.6495 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0056 0.0511 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.1002 0.1002
Plasmodium vivax mannose-6-phosphate isomerase, putative 0.0096 0.2562 0.5
Echinococcus granulosus survival motor neuron protein 1 0.024 1 1
Trypanosoma brucei prolyl endopeptidase 0.0141 0.4869 1
Schistosoma mansoni hypothetical protein 0.0172 0.6495 1
Echinococcus granulosus mannose 6 phosphate isomerase 0.0096 0.2562 0.1572
Leishmania major phosphomannose isomerase 0.0096 0.2562 0.4707
Loa Loa (eye worm) hypothetical protein 0.0141 0.4869 0.4869
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0069 0.1175 0.1607
Trypanosoma brucei phosphomannose isomerase 0.0096 0.2562 0.4707
Entamoeba histolytica phosphomannose isomerase, putative 0.0096 0.2562 0.5
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0096 0.2562 0.2562
Onchocerca volvulus 0.0049 0.0156 0.032
Echinococcus multilocularis calpain A 0.0069 0.1175 0.1175
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0056 0.0511 0.054
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0126 0.411 1
Echinococcus granulosus prolyl endopeptidase 0.0141 0.4869 0.4186
Echinococcus multilocularis survival motor neuron protein 1 0.024 1 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.1982 0.1982
Loa Loa (eye worm) hypothetical protein 0.024 1 1
Onchocerca volvulus 0.0084 0.1982 0.407
Brugia malayi prolyl oligopeptidase family protein 0.0141 0.4869 0.4787
Plasmodium falciparum mannose-6-phosphate isomerase, putative 0.0096 0.2562 0.5
Trypanosoma cruzi prolyl endopeptidase 0.0141 0.4869 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0084 0.1982 0.288
Mycobacterium ulcerans mannose-6-phosphate isomerase ManA 0.0096 0.2562 1
Brugia malayi calpain family protein 1 0.0065 0.1002 0.086
Echinococcus multilocularis L aminoadipate semialdehyde 0.0084 0.1982 0.1982
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0065 0.1002 0.1335
Trypanosoma cruzi phosphomannose isomerase, putative 0.0096 0.2562 0.4707
Mycobacterium tuberculosis Probable peptidase 0.0056 0.0511 0.054
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0096 0.2562 0.2562
Echinococcus multilocularis mannose 6 phosphate isomerase 0.0096 0.2562 0.2562
Trichomonas vaginalis mannose-6-phosphate isomerase, putative 0.0096 0.2562 0.5
Onchocerca volvulus Prolyl endopeptidase homolog 0.0141 0.4869 1
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0096 0.2562 0.2444
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0069 0.1175 0.1175
Echinococcus multilocularis prolyl endopeptidase 0.0141 0.4869 0.4869
Echinococcus granulosus geminin 0.0172 0.6495 0.6029
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0084 0.1982 0.1855
Echinococcus granulosus L aminoadipate semialdehyde 0.0084 0.1982 0.0914
Trypanosoma cruzi phosphomannose isomerase, putative 0.0096 0.2562 0.4707

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.44 ug ml-1 Compound was measured for inhibition on Human Rhinovirus-14 by using PRA assay (Antiviral activity) ChEMBL. 9888832
IC50 (functional) = 0.48 ug ml-1 Compound was measured for inhibition on Human Rhinovirus-14 by using CPE/XTT assay (Antiviral activity) ChEMBL. 9888832
TC50 (ADMET) > 10 ug ml-1 Compound was evaluated for cellular toxicity in on Human Rhinovirus-14 by using CPE/XTT assay (cytopathic effect assay) ChEMBL. 9888832
TC50/IC50 (functional) > 21 Ratio of TC50 value to the IC50 value of the compound measured on rhinovirus-14 by using CPE/XTT assay. ChEMBL. 9888832

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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