Detailed information for compound 431145

Basic information

Technical information
  • TDR Targets ID: 431145
  • Name: 2-(2-fluorophenyl)-5-[(4-iodophenyl)methyl]im idazo[4,5-c]pyridine
  • MW: 429.229 | Formula: C19H13FIN3
  • H donors: 0 H acceptors: 2 LogP: 4.01 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Ic1ccc(cc1)Cn1ccc2c(c1)nc(n2)c1ccccc1F
  • InChi: 1S/C19H13FIN3/c20-16-4-2-1-3-15(16)19-22-17-9-10-24(12-18(17)23-19)11-13-5-7-14(21)8-6-13/h1-10,12H,11H2
  • InChiKey: VCMFXCQTFOCKOE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-fluorophenyl)-5-(4-iodobenzyl)imidazo[4,5-c]pyridine
  • 2-(2-fluorophenyl)-5-[(4-iodophenyl)methyl]imidazo[5,4-c]pyridine
  • 2-(2-fluorophenyl)-5-(4-iodobenzyl)imidazo[5,4-c]pyridine
  • 5H-Imidazo[4,5-c]pyridine, 2-(2-fluorophenyl)-5-[(4-iodophenyl)methyl]-
  • AIDS-415819
  • AIDS415819

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
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1389 0.2335
Schistosoma mansoni hypothetical protein 0.0132 0.1716 0.1483
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0192 0.2969 0.5
Leishmania major hypothetical protein, conserved 0.0131 0.1699 0.5
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0163 0.2366 0.2151
Loa Loa (eye worm) hypothetical protein 0.0065 0.0344 0.0578
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0192 0.2969 0.5
Loa Loa (eye worm) ryanodine receptor 0.0126 0.1599 0.2689
Schistosoma mansoni ryanodine receptor related 0.0534 1 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.101 0.1698
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1389 0.2335
Echinococcus multilocularis ryanodine receptor 44f 0.0432 0.7908 1
Echinococcus granulosus ryanodine receptor 44f 0.0432 0.7908 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.1097 0.1844
Loa Loa (eye worm) ryanodine receptor 0.0199 0.3112 0.5231
Loa Loa (eye worm) hypothetical protein 0.0337 0.5949 1
Brugia malayi cation channel family protein 0.0228 0.3705 0.3705
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0065 0.0344 0.0072
Brugia malayi MH2 domain containing protein 0.0116 0.1389 0.1389

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) > 33 uM Cytotoxicity against MDBK cells ChEMBL. 17084081
CC50 (ADMET) = 58 uM Cytotoxicity against Huh 5-2 cells ChEMBL. 17084081
EC50 (functional) = 0.07 uM Antiviral activity against BVDV in MDBK cells assessed as reduction of virus-induced cytopathic efect ChEMBL. 17084081
EC50 (functional) = 0.79 uM Antiviral activity against HCV in Huh 5-2 cells assessed as reduction of virus-induced cytopathic efect ChEMBL. 17084081
Ratio CC50/EC50 (functional) = 74 Selectivity index, ratio of CC50 for Huh 5-2 cells to EC50 for HCV ChEMBL. 17084081
Ratio CC50/EC50 (functional) > 478 Selectivity index, ratio of CC50 for MDBK cells to EC50 for BVDV ChEMBL. 17084081

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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