Detailed information for compound 286421

Basic information

Technical information
  • TDR Targets ID: 286421
  • Name: 2-bromo-1-N-(4,6-dimethylpyrimidin-2-yl)-1-N- ethyl-6-methoxy-4-N,4-N-dimethylbenzene-1,4-d iamine
  • MW: 379.295 | Formula: C17H23BrN4O
  • H donors: 0 H acceptors: 2 LogP: 4.17 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1N(c1nc(C)cc(n1)C)CC)Br)N(C)C
  • InChi: 1S/C17H23BrN4O/c1-7-22(17-19-11(2)8-12(3)20-17)16-14(18)9-13(21(4)5)10-15(16)23-6/h8-10H,7H2,1-6H3
  • InChiKey: RWCFSMJFBUIHJX-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-bromo-N1-(4,6-dimethylpyrimidin-2-yl)-N1-ethyl-6-methoxy-N4,N4-dimethyl-benzene-1,4-diamine
  • 2-bromo-N1-(4,6-dimethyl-2-pyrimidinyl)-N1-ethyl-6-methoxy-N4,N4-dimethylbenzene-1,4-diamine
  • [2-bromo-4-(dimethylamino)-6-methoxy-phenyl]-(4,6-dimethylpyrimidin-2-yl)-ethyl-amine
  • 2-bromo-N-(4,6-dimethylpyrimidin-2-yl)-N-ethyl-6-methoxy-N',N'-dimethylbenzene-1,4-diamine
  • 2-bromo-N-(4,6-dimethylpyrimidin-2-yl)-N-ethyl-6-methoxy-N',N'-dimethyl-benzene-1,4-diamine
  • 2-bromo-N-(4,6-dimethyl-2-pyrimidinyl)-N-ethyl-6-methoxy-N',N'-dimethylbenzene-1,4-diamine
  • (2-bromo-4-dimethylamino-6-methoxy-phenyl)-(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 granulosus 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
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
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 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
Schistosoma mansoni hypothetical protein 0.0376 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0376 0.1359 0.1359
Echinococcus granulosus slit 2 protein 0.0376 0.1359 0.1359
Echinococcus multilocularis fibropellin Ia 0.0376 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0376 0.1359 0.1359
Schistosoma mansoni slit 0.0376 0.1359 0.1359
Brugia malayi notch-like transmembrane receptor 0.0376 0.1359 0.1359
Loa Loa (eye worm) notch protein 0.0376 0.1359 0.1359
Leishmania major hypothetical protein, conserved 0.028 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0376 0.1359 0.1359
Brugia malayi Calcium binding EGF domain containing protein 0.0376 0.1359 0.1359
Onchocerca volvulus Slit protein homolog 0.0376 0.1359 0.1359
Echinococcus granulosus neurogenic locus notch protein 4 0.0376 0.1359 0.1359
Onchocerca volvulus Putative cubilin 0.0376 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0376 0.1359 0.1359
Brugia malayi Calcium binding EGF domain containing protein 0.0376 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0376 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0376 0.1359 0.1359
Schistosoma mansoni notch 0.0376 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0376 0.1359 0.1359
Schistosoma mansoni laminin gamma-3 chain 0.0376 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0376 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0376 0.1359 0.1359
Schistosoma mansoni egf-like domain protein 0.0986 1 1
Schistosoma mansoni hypothetical protein 0.0376 0.1359 0.1359
Echinococcus multilocularis neurogenic locus protein delta 0.0376 0.1359 0.1359
Brugia malayi Fibulin-1 precursor 0.0986 1 1
Brugia malayi EGF-like domain containing protein 0.0376 0.1359 0.1359
Onchocerca volvulus 0.0376 0.1359 0.1359
Brugia malayi EGF-like domain containing protein 0.0376 0.1359 0.1359
Brugia malayi Muscle positioning protein 4 0.0376 0.1359 0.1359
Onchocerca volvulus Neurogenic locus notch homolog 0.0376 0.1359 0.1359
Brugia malayi Calcium binding EGF domain containing protein 0.0376 0.1359 0.1359
Giardia lamblia High cysteine protein 0.0376 0.1359 0.5
Echinococcus multilocularis protein jagged 2 0.0376 0.1359 0.1359
Echinococcus multilocularis fat cadherin tumor suppressor 0.0376 0.1359 0.1359
Echinococcus multilocularis neurogenic locus protein delta 0.0376 0.1359 0.1359
Schistosoma mansoni notch 0.0376 0.1359 0.1359
Schistosoma mansoni cell polarity protein 0.0376 0.1359 0.1359
Echinococcus granulosus notch 0.0376 0.1359 0.1359
Echinococcus granulosus laminin 0.0986 1 1
Brugia malayi EGF-like domain containing protein 0.0376 0.1359 0.1359
Echinococcus granulosus neurogenic locus protein delta 0.0376 0.1359 0.1359
Echinococcus granulosus neurogenic locus notch protein 0.0376 0.1359 0.1359
Echinococcus multilocularis fibrillin 1 0.0986 1 1
Loa Loa (eye worm) hypothetical protein 0.0376 0.1359 0.1359
Loa Loa (eye worm) Notch2 0.0376 0.1359 0.1359
Schistosoma mansoni hypothetical protein 0.0376 0.1359 0.1359
Echinococcus multilocularis slit 2 protein 0.0376 0.1359 0.1359
Echinococcus granulosus protein jagged 2 0.0376 0.1359 0.1359
Echinococcus granulosus neural cadherin 0.0376 0.1359 0.1359
Brugia malayi EGF-like domain containing protein 0.0376 0.1359 0.1359
Brugia malayi Cadherin domain containing protein 0.0376 0.1359 0.1359
Onchocerca volvulus Arrow homolog 0.0986 1 1
Echinococcus multilocularis protein jagged 1 0.0376 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0376 0.1359 0.1359
Echinococcus granulosus protein jagged 1 0.0376 0.1359 0.1359
Schistosoma mansoni hypothetical protein 0.0376 0.1359 0.1359
Echinococcus multilocularis Tolloid protein 1 0.0986 1 1
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0376 0.1359 0.1359
Echinococcus multilocularis protein jagged 1 0.0376 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0986 1 1
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0986 1 1
Onchocerca volvulus 0.0376 0.1359 0.1359
Schistosoma mansoni septate junction protein 0.0376 0.1359 0.1359
Schistosoma mansoni notch 0.0376 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0986 1 1
Loa Loa (eye worm) hypothetical protein 0.0376 0.1359 0.1359
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0986 1 1
Brugia malayi EGF-like domain containing protein 0.0376 0.1359 0.1359
Schistosoma mansoni notch 0.0376 0.1359 0.1359
Schistosoma mansoni hypothetical protein 0.0376 0.1359 0.1359
Toxoplasma gondii EGF family domain-containing protein 0.0376 0.1359 0.1359
Schistosoma mansoni notch 0.0376 0.1359 0.1359
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0986 1 1
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0376 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0376 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0376 0.1359 0.1359
Echinococcus multilocularis neurogenic locus notch protein 0.0376 0.1359 0.1359
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0376 0.1359 0.1359
Schistosoma mansoni notch 0.0376 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0376 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0376 0.1359 0.1359
Schistosoma mansoni hypothetical protein 0.0376 0.1359 0.1359
Toxoplasma gondii calcium binding egf domain-containing protein 0.0986 1 1
Echinococcus granulosus Tolloid protein 1 0.0986 1 1
Echinococcus multilocularis notch 0.0376 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0376 0.1359 0.1359
Echinococcus granulosus delta-like protein 1 0.0376 0.1359 0.1359
Echinococcus multilocularis neural cadherin 0.0376 0.1359 0.1359
Echinococcus granulosus fibropellin Ia 0.0376 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0376 0.1359 0.1359
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0986 1 1
Loa Loa (eye worm) hypothetical protein 0.0986 1 1
Loa Loa (eye worm) hypothetical protein 0.0376 0.1359 0.1359
Plasmodium falciparum cysteine repeat modular protein 1 0.028 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0986 1 1
Echinococcus multilocularis laminin 0.0986 1 1
Loa Loa (eye worm) hypothetical protein 0.0376 0.1359 0.1359
Brugia malayi Cadherin domain containing protein 0.0376 0.1359 0.1359
Onchocerca volvulus 0.0376 0.1359 0.1359
Schistosoma mansoni hypothetical protein 0.0376 0.1359 0.1359
Echinococcus granulosus protein jagged 1 0.0376 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0376 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0986 1 1
Toxoplasma gondii calcium binding egf domain-containing protein 0.0986 1 1
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0986 1 1
Echinococcus multilocularis neurogenic locus notch protein 4 0.0376 0.1359 0.1359
Onchocerca volvulus 0.0376 0.1359 0.1359
Echinococcus granulosus protein jagged 2 0.0376 0.1359 0.1359
Trypanosoma cruzi hypothetical protein, conserved 0.028 0 0.5
Brugia malayi GCC2 and GCC3 family protein 0.0376 0.1359 0.1359
Brugia malayi EGF-like domain containing protein 0.0376 0.1359 0.1359
Brugia malayi Delta serrate ligand family protein 0.0376 0.1359 0.1359
Plasmodium vivax cysteine repeat modular protein 1, putative 0.028 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0376 0.1359 0.1359
Echinococcus granulosus neurogenic locus notch protein 0.0376 0.1359 0.1359
Echinococcus multilocularis neurogenic locus notch protein 0.0376 0.1359 0.1359
Onchocerca volvulus 0.0376 0.1359 0.1359
Brugia malayi EGF-like domain containing protein 0.0376 0.1359 0.1359

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 5 nM Binding affinity for human recombinant corticotropin releasing factor receptor 1 ChEMBL. 10072679
Ki (binding) = 5 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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