Detailed information for compound 285847

Basic information

Technical information
  • TDR Targets ID: 285847
  • Name: N-(2-bromophenyl)-N-ethyl-4,6-dimethylpyrimid in-2-amine
  • MW: 306.201 | Formula: C14H16BrN3
  • H donors: 0 H acceptors: 2 LogP: 4.08 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1ccccc1Br)c1nc(C)cc(n1)C
  • InChi: 1S/C14H16BrN3/c1-4-18(13-8-6-5-7-12(13)15)14-16-10(2)9-11(3)17-14/h5-9H,4H2,1-3H3
  • InChiKey: AFIAMYYTCNEEFL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-bromophenyl)-N-ethyl-4,6-dimethyl-pyrimidin-2-amine
  • N-(2-bromophenyl)-N-ethyl-4,6-dimethyl-2-pyrimidinamine
  • (2-bromophenyl)-(4,6-dimethylpyrimidin-2-yl)-ethyl-amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens corticotropin releasing hormone receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Schistosoma japonicum IPR001879,Hormone receptor, extracellular,domain-containing Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative Get druggable targets OG5_130760 All targets in OG5_130760
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130760 All targets in OG5_130760
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c corticotropin releasing hormone receptor 1 444 aa 445 aa 25.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum hexose transporter 0.0146 0 0.5
Onchocerca volvulus 0.2504 0.4763 1
Loa Loa (eye worm) hypothetical protein 0.2397 0.4547 0.4547
Loa Loa (eye worm) hypothetical protein 0.2504 0.4763 0.4763
Loa Loa (eye worm) hypothetical protein 0.1338 0.2407 0.2407
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0213 0.0134 0.0261
Brugia malayi Glutamate receptor 2 precursor 0.0175 0.0058 0.0116
Brugia malayi Adenylyl cyclase protein 0.2504 0.4763 0.954
Echinococcus multilocularis adenylate cyclase type IX 0.2699 0.5158 1
Leishmania major C-8 sterol isomerase-like protein 0.2617 0.4992 0.5
Brugia malayi ERG2 and Sigma1 receptor like protein 0.2617 0.4992 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0213 0.0134 0.0261
Schistosoma mansoni glutamate receptor AMPA 0.0175 0.0058 0.2011
Echinococcus granulosus adenylate cyclase type IX 0.2699 0.5158 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.2617 0.4992 0.5
Schistosoma mansoni glutamate receptor kainate 0.0175 0.0058 0.2011
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0245 0.0201 0.0402
Echinococcus granulosus glutamate receptor 2 0.0213 0.0134 0.0261
Schistosoma mansoni glutamate receptor NMDA 0.028 0.0271 0.9452
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0213 0.0134 0.0261
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.028 0.0271 0.0526
Schistosoma mansoni glutamate receptor AMPA 0.0175 0.0058 0.2011
Schistosoma mansoni glutamate receptor kainate 0.0175 0.0058 0.2011
Trypanosoma cruzi C-8 sterol isomerase, putative 0.2617 0.4992 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0204 0.0118 0.0228
Echinococcus multilocularis glutamate receptor 2 0.0175 0.0058 0.0112
Loa Loa (eye worm) glutamate receptor 1 0.0175 0.0058 0.0058
Onchocerca volvulus Adenylate cyclase type 3 homolog 0.2504 0.4763 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.0201 0.0201
Loa Loa (eye worm) glutamate receptor 2 0.0175 0.0058 0.0058
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0204 0.0118 0.0228
Schistosoma mansoni glutamate receptor NMDA 0.0288 0.0287 1
Echinococcus multilocularis glutamate receptor 2 0.0213 0.0134 0.0261
Onchocerca volvulus Adenylate cyclase type 2 homolog 0.2504 0.4763 1
Brugia malayi Glutamate receptor 1 precursor 0.0175 0.0058 0.0116
Echinococcus granulosus nmda type glutamate receptor 0.0309 0.0329 0.0637
Echinococcus granulosus glutamate NMDA receptor subunit 0.028 0.0271 0.0526
Schistosoma mansoni ATP-binding cassette transporter 0.0175 0.0058 0.2011
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0213 0.0134 0.0261
Toxoplasma gondii facilitative glucose transporter GT1 0.0146 0 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0213 0.0134 0.0261
Echinococcus multilocularis adenylate cyclase 9 0.2504 0.4763 0.9234
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0213 0.0134 0.0261
Schistosoma mansoni glutamate receptor kainate 0.0175 0.0058 0.2011
Plasmodium vivax hexose transporter 0.0146 0 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0309 0.0329 0.0637
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0213 0.0134 0.0261
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0233 0.0176 0.0342
Loa Loa (eye worm) hypothetical protein 0.2617 0.4992 0.4992
Echinococcus granulosus adenylate cyclase 9 0.2504 0.4763 0.9234
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0213 0.0134 0.0261
Trichomonas vaginalis conserved hypothetical protein 0.0146 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) > 1000 nM Binding affinity for human recombinant corticotropin releasing factor receptor 1 ChEMBL. 10072679
Ki (binding) > 1000 nM Binding affinity for human recombinant corticotropin releasing factor receptor 1 ChEMBL. 10072679

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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