Detailed information for compound 1852290

Basic information

Technical information
  • TDR Targets ID: 1852290
  • Name: 2-amino-6-(4-bromophenyl)-4-(3,4-dichlorophen yl)pyridine-3-carbonitrile
  • MW: 419.102 | Formula: C18H10BrCl2N3
  • H donors: 1 H acceptors: 1 LogP: 4.98 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(=N)[nH]c(cc1c1ccc(c(c1)Cl)Cl)c1ccc(cc1)Br
  • InChi: 1S/C18H10BrCl2N3/c19-12-4-1-10(2-5-12)17-8-13(14(9-22)18(23)24-17)11-3-6-15(20)16(21)7-11/h1-8H,(H2,23,24)
  • InChiKey: RAQKWKYAZGAKAI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-6-(4-bromophenyl)-4-(3,4-dichlorophenyl)-3-pyridinecarbonitrile
  • 2-amino-6-(4-bromophenyl)-4-(3,4-dichlorophenyl)nicotinonitrile

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 14 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04441 p38 MAP kinase, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus granulosus mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus granulosus mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania donovani mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Candida albicans MAP kinase involved in osmoregulation Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma congolense mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma brucei gambiense mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania braziliensis mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma brucei mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania infantum mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Brugia malayi P38 map kinase family protein 2 Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma cruzi mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Candida albicans MAP kinase involved in osmoregulation Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma cruzi mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania mexicana mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 14 360 aa 336 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) fli-1 protein 0.0237 0.3336 0.5469
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0422 0.61 1
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0028 0.0219 0.0359
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0244 0.3452 1
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0422 0.61 1
Echinococcus granulosus expressed protein 0.0028 0.0219 0.0634
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0027 0.0209 0.0606
Echinococcus multilocularis geminin 0.01 0.1289 0.1289
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0013 0 0.5
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0152 0.2072 0.3397
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0244 0.3452 1
Trichomonas vaginalis rotamase, putative 0.0027 0.0209 0.0343
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0244 0.3452 1
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0152 0.2072 0.6003
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0027 0.0209 0.0606
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0422 0.61 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0244 0.3452 0.5659
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0244 0.3452 0.5659
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0244 0.3452 0.5659
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0244 0.3452 1
Schistosoma mansoni rotamase 0.0028 0.0219 0.0634
Echinococcus multilocularis mitogen activated protein kinase 11 0.0152 0.2072 0.2072
Brugia malayi P38 map kinase family protein 2 0.0152 0.2072 0.3397
Toxoplasma gondii peptidylprolyl isomerase 0.0027 0.0209 0.0606
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0028 0.0219 0.0359
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0027 0.0209 0.0343
Echinococcus granulosus GA binding protein alpha chain 0.0078 0.0964 0.2792
Echinococcus granulosus mitogen activated protein kinase 14 0.0152 0.2072 0.6003
Schistosoma mansoni ets-related 0.0237 0.3336 0.9665
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0422 0.61 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0422 0.61 1
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0244 0.3452 0.5659
Schistosoma mansoni gabp alpha 0.0078 0.0964 0.2792
Echinococcus multilocularis GA binding protein alpha chain 0.0078 0.0964 0.0964
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0244 0.3452 0.5659
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0152 0.2072 0.6003
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0078 0.0964 0.158
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0422 0.61 1
Echinococcus multilocularis expressed protein 0.0028 0.0219 0.0219
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0244 0.3452 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0422 0.61 1
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0152 0.2072 0.6003
Brugia malayi Fli-1 protein 0.0237 0.3336 0.5469
Treponema pallidum exodeoxyribonuclease (exoA) 0.0013 0 0.5
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0422 0.61 1
Echinococcus multilocularis mitogen activated protein kinase 11 0.0152 0.2072 0.2072
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0422 0.61 1
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0422 0.61 1
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0244 0.3452 0.3452
Schistosoma mansoni hypothetical protein 0.01 0.1289 0.3733
Schistosoma mansoni hypothetical protein 0.01 0.1289 0.3733
Echinococcus multilocularis mitogen activated protein kinase 14 0.0152 0.2072 0.2072
Brugia malayi Ets-domain containing protein 0.0078 0.0964 0.158
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0422 0.61 1
Onchocerca volvulus 0.0422 0.61 0.5
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0422 0.61 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0027 0.0209 0.0606
Echinococcus granulosus geminin 0.01 0.1289 0.3733
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0219 0.0359
Echinococcus multilocularis mitogen activated protein kinase 14 0.0152 0.2072 0.2072
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0244 0.3452 0.5659
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0422 0.61 1
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0152 0.2072 0.6003
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0244 0.3452 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0244 0.3452 0.5659
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0244 0.3452 1
Echinococcus granulosus mitogen activated protein kinase 11 0.0152 0.2072 0.6003
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0027 0.0209 0.0606
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0244 0.3452 1
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0244 0.3452 1
Trichomonas vaginalis rotamase, putative 0.0028 0.0219 0.0359
Brugia malayi Ets-domain containing protein 0.0078 0.0964 0.158
Loa Loa (eye worm) hypothetical protein 0.0067 0.0795 0.1303

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.12 uM Inhibition of p38 alpha MAP kinase (unknown origin) ChEMBL. No reference

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

No literature references available for this target.

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