Detailed information for compound 454592

Basic information

Technical information
  • TDR Targets ID: 454592
  • Name: N-[(E)-[5-bromo-2-[(4-chlorophenyl)methoxy]ph enyl]methylideneamino]-4,5-dihydro-1H-imidazo l-2-amine
  • MW: 407.692 | Formula: C17H16BrClN4O
  • H donors: 2 H acceptors: 0 LogP: 3.47 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(c(c1)/C=N/NC1=NCCN1)OCc1ccc(cc1)Cl
  • InChi: 1S/C17H16BrClN4O/c18-14-3-6-16(24-11-12-1-4-15(19)5-2-12)13(9-14)10-22-23-17-20-7-8-21-17/h1-6,9-10H,7-8,11H2,(H2,20,21,23)/b22-10+
  • InChiKey: XLMJWDVPQVWOKY-LSHDLFTRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(E)-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyleneamino]-4,5-dihydro-1H-imidazol-2-amine
  • [(E)-[5-bromo-2-(4-chlorobenzyl)oxy-benzylidene]amino]-(2-imidazolin-2-yl)amine
  • N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
  • N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyleneamino]-4,5-dihydro-1H-imidazol-2-amine
  • [[5-bromo-2-(4-chlorobenzyl)oxy-benzylidene]amino]-(4,5-dihydro-1H-imidazol-2-yl)amine
  • AIDS-471303
  • AIDS471303
  • Benzaldehyde, 5-bromo-2-[(4-chlorophenyl)methoxy]-, (4,5-dihydro-1H-imidazol-2-yl)hydrazone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chemokine (C-C motif) receptor 2 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0203 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0203 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0107 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0107 0.1071 0.1071
Schistosoma mansoni coup transcription factor 0.0203 1 1
Brugia malayi hypothetical protein 0.0107 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0203 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0203 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0203 1 1
Loa Loa (eye worm) hypothetical protein 0.0203 1 1
Echinococcus granulosus FTZ F1 alpha 0.0203 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0203 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0203 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0203 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0203 1 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.1071 0.1071
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0203 1 1
Onchocerca volvulus 0.0203 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0203 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0203 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0203 1 1
Loa Loa (eye worm) hypothetical protein 0.0203 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0203 1 1
Schistosoma mansoni hypothetical protein 0.0119 0.2174 0.2174
Echinococcus multilocularis ecdysone induced protein 78C 0.0203 1 1
Brugia malayi nuclear receptor NHR-88 0.0203 1 1
Brugia malayi nuclear receptor RXR 0.0107 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0203 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0203 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0203 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0107 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0107 0.1071 0.1071
Brugia malayi nuclear hormone receptor 0.0203 1 1
Schistosoma mansoni nuclear hormone receptor 0.0203 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0107 0.1071 0.1071
Brugia malayi steroid hormone receptor 0.0203 1 1
Loa Loa (eye worm) hypothetical protein 0.0203 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0203 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0203 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0203 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0107 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0203 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0203 1 1
Schistosoma mansoni thyroid hormone receptor 0.0203 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0203 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0203 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0203 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0203 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0203 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0203 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0203 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0203 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0203 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0203 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0203 1 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0107 0.1071 0.1071
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0203 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0203 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0203 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0203 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0203 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0203 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0203 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0203 1 1
Schistosoma mansoni thyroid hormone receptor 0.0203 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0107 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0203 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0203 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0107 0.1071 0.1071
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0203 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0203 1 1
Loa Loa (eye worm) hypothetical protein 0.0203 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0203 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0107 0.1071 0.1071
Brugia malayi hypothetical protein 0.0107 0.1071 0.1071
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0203 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0203 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0203 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0203 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0203 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0203 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0203 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0203 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0203 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0203 1 1
Trypanosoma brucei RNA helicase, putative 0.0119 0.2174 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.125 Antagonist activity at Homo sapiens (human) CCR5 receptor LITERATURE. No reference
IC50 (binding) = 0.75 uM Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells ChEMBL. 17081751
IC50 (binding) = 0.75 uM Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells ChEMBL. 17081751

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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