Detailed information for compound 1484728

Basic information

Technical information
  • TDR Targets ID: 1484728
  • Name: 4-dimethylamino-2-[(2-methoxyphenyl)amino]pyr idine-3-carbonitrile
  • MW: 268.314 | Formula: C15H16N4O
  • H donors: 1 H acceptors: 2 LogP: 3.09 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(nccc1N(C)C)Nc1ccccc1OC
  • InChi: 1S/C15H16N4O/c1-19(2)13-8-9-17-15(11(13)10-16)18-12-6-4-5-7-14(12)20-3/h4-9H,1-3H3,(H,17,18)
  • InChiKey: KQEXRKQXZQQHNK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-dimethylamino-2-[(2-methoxyphenyl)amino]-3-pyridinecarbonitrile
  • 4-dimethylamino-2-[(2-methoxyphenyl)amino]nicotinonitrile
  • 4-(dimethylamino)-2-(2-methoxyanilino)nicotinonitrile
  • MLS000694961
  • SMR000334836
  • 8M-041
  • Oprea1_297905

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1424 0.5
Brugia malayi hypothetical protein 0.002 0.0287 0.0303
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.1424 1
Schistosoma mansoni serine/threonine protein kinase 0.0032 0.1595 0.1562
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0039 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1424 0.5
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0039 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.791 1
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0112 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1424 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.1424 1
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0039 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.1424 0.5
Leishmania major hypothetical protein, conserved 0.003 0.1424 0.5
Echinococcus multilocularis protein kinase c epsilon type 0.0032 0.1595 0.1562
Entamoeba histolytica protein kinase, putative 0.0017 0.0039 0.5
Schistosoma mansoni atypical protein kinase C 0.003 0.1328 0.1293
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0039 1
Brugia malayi protein kinase C II. 0.0032 0.1595 0.1903
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.008 0.6622 0.6609
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1424 0.5
Echinococcus granulosus protein kinase C gamma type 0.01 0.8712 0.8707
Loa Loa (eye worm) hypothetical protein 0.003 0.1424 0.1759
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0039 1
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0039 1
Echinococcus granulosus protein kinase c epsilon type 0.0032 0.1595 0.1562
Brugia malayi hypothetical protein 0.003 0.1424 0.1693
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0039 1
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0039 1
Loa Loa (eye worm) hypothetical protein 0.008 0.6622 0.8363
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0039 1
Entamoeba histolytica protein kinase, putative 0.0017 0.0039 0.5
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0039 1
Echinococcus multilocularis RNA directed DNA polymerase 0.008 0.6622 0.6609
Echinococcus granulosus RNA directed DNA polymerase 0.008 0.6622 0.6609
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0032 0.1595 0.1977
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0039 1
Echinococcus granulosus protein kinase c iota type 0.003 0.1328 0.1293
Schistosoma mansoni serine/threonine protein kinase 0.0112 1 1
Entamoeba histolytica protein kinase, putative 0.0017 0.0039 0.5
Entamoeba histolytica protein kinase, putative 0.0017 0.0039 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0112 1 1
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0083 0.6929 0.8753
Brugia malayi Protein kinase c protein 2 0.0095 0.8217 1
Echinococcus multilocularis protein kinase c iota type 0.003 0.1328 0.1293
Echinococcus multilocularis serine threonine protein kinase 0.01 0.8712 0.8707

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0267 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.

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