Detailed information for compound 30862

Basic information

Technical information
  • TDR Targets ID: 30862
  • Name: 4-[2-chloro-4-(trifluoromethyl)phenyl]-1-(1-c yclopropylpropyl)-2-ethylimidazo[4,5-c]pyridi ne
  • MW: 407.86 | Formula: C21H21ClF3N3
  • H donors: 0 H acceptors: 2 LogP: 5.98 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(n1c(CC)nc2c1ccnc2c1ccc(cc1Cl)C(F)(F)F)C1CC1
  • InChi: 1S/C21H21ClF3N3/c1-3-16(12-5-6-12)28-17-9-10-26-19(20(17)27-18(28)4-2)14-8-7-13(11-15(14)22)21(23,24)25/h7-12,16H,3-6H2,1-2H3
  • InChiKey: JYDUPUKAOKKYHE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[2-chloro-4-(trifluoromethyl)phenyl]-1-(1-cyclopropylpropyl)-2-ethyl-imidazo[4,5-c]pyridine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Corticotropin releasing factor receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) hypothetical protein Corticotropin releasing factor receptor   411 aa 394 aa 29.4 %
Loa Loa (eye worm) hypothetical protein Corticotropin releasing factor receptor   411 aa 330 aa 22.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c Corticotropin releasing factor receptor   411 aa 400 aa 25.8 %
Onchocerca volvulus Corticotropin releasing factor receptor   411 aa 388 aa 31.2 %
Onchocerca volvulus Pseudouridine-5 prime-monophosphatase homolog Corticotropin releasing factor receptor   411 aa 402 aa 27.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax flavodoxin domain containing protein 0.0177 0.8159 0.8159
Toxoplasma gondii flavodoxin domain-containing protein 0.0099 0.1841 0.5
Plasmodium falciparum nitric oxide synthase, putative 0.0199 1 1
Brugia malayi FAD binding domain containing protein 0.0123 0.3805 0.3805
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0199 1 1
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0199 1 1
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0177 0.8159 0.8159
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0199 1 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0199 1 1
Schistosoma mansoni NADPH flavin oxidoreductase 0.01 0.1964 0.0151
Trypanosoma cruzi p450 reductase, putative 0.0199 1 1
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0199 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0076 0 0.5
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0199 1 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0199 1 1
Trichomonas vaginalis sulfite reductase, putative 0.0199 1 1
Schistosoma mansoni cytochrome P450 reductase 0.0199 1 1
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0199 1 0.5
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0199 1 1
Loa Loa (eye worm) hypothetical protein 0.009 0.1143 0.1143
Treponema pallidum flavodoxin 0.0076 0 0.5
Giardia lamblia Hypothetical protein 0.0177 0.8159 0.5
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0199 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0076 0 0.5
Entamoeba histolytica type A flavoprotein, putative 0.0076 0 0.5
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0199 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0199 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0076 0 0.5
Brugia malayi FAD binding domain containing protein 0.0199 1 1
Leishmania major cytochrome P450 reductase, putative 0.0177 0.8159 0.8159
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0199 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0199 1 1
Giardia lamblia Nitric oxide synthase, inducible 0.0177 0.8159 0.5
Loa Loa (eye worm) hypothetical protein 0.0199 1 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0123 0.3805 0.2407
Loa Loa (eye worm) pigment dispersing factor receptor c 0.009 0.1143 0.1143
Chlamydia trachomatis sulfite reductase 0.0123 0.3805 0.5
Leishmania major p450 reductase, putative 0.0199 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.009 0.1143 0.1143
Toxoplasma gondii flavodoxin domain-containing protein 0.0099 0.1841 0.5
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0199 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.009 0.1143 0.1143
Loa Loa (eye worm) FAD binding domain-containing protein 0.0123 0.3805 0.3805
Entamoeba histolytica type A flavoprotein, putative 0.0076 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 2.9 nM In vitro binding affinity against Corticotropin releasing factor receptor in rat cortical homogenates ChEMBL. 12467632
Ki (binding) = 2.9 nM In vitro binding affinity against Corticotropin releasing factor receptor in rat cortical homogenates ChEMBL. 12467632

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.