Detailed information for compound 30614

Basic information

Technical information
  • TDR Targets ID: 30614
  • Name: 2-(2-phenyl-1H-imidazol-5-yl)ethanamine
  • MW: 187.241 | Formula: C11H13N3
  • H donors: 2 H acceptors: 1 LogP: 1.08 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCc1c[nH]c(n1)c1ccccc1
  • InChi: 1S/C11H13N3/c12-7-6-10-8-13-11(14-10)9-4-2-1-3-5-9/h1-5,8H,6-7,12H2,(H,13,14)
  • InChiKey: SPYMAQJEMKZIKZ-UHFFFAOYSA-N  


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Synonyms

  • 2-(2-phenyl-1H-imidazol-5-yl)ethylamine

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.1542 0 0.5
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1542 0 0.5
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.1542 0 0.5
Loa Loa (eye worm) hypothetical protein 0.1542 0 0.5
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1542 0 0.5
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1542 0 0.5
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.1542 0 0.5
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 3.674 1 0.5
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.1542 0 0.5
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 1.3965 0.3529 0.5
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1542 0 0.5
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 3.674 1 1
Onchocerca volvulus 0.1542 0 0.5
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.1542 0 0.5
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.1542 0 0.5
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 3.674 1 0.5
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.1542 0 0.5
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1542 0 0.5
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.1542 0 0.5
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1542 0 0.5
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 1.3965 0.3529 0.5
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.1542 0 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 5.2 H1-Histamine receptor agonism on Guinea pig aorta was evaluated (SEM 0.03-0.18) ChEMBL. 7731015
Intrinsic activity (functional) = 0.2 Histamine H2 receptor agonism activity was determined on the isolated Guinea pig Atrium was determined as Intrinsic activity with respect to Histamine ChEMBL. 7731015
Intrinsic activity (functional) = 0.2 Histamine H2 receptor agonism activity was determined on the isolated Guinea pig Atrium was determined as Intrinsic activity with respect to Histamine ChEMBL. 7731015
Intrinsic activity (functional) = 0.86 H1-Histamine receptor agonism on Guinea pig aorta was evaluated as Intrinsic activity given as 1.0 with respect to histamine(paired 't'test;p>0.05) ChEMBL. 7731015
Intrinsic activity (functional) = 1 H1-Histamine receptor agonism on guinea pig ileum as intrinsic activity given as 1.0 with respect to histamine (paired 't'test; p>0.05). ChEMBL. 7731015
Log EC50 (functional) = 5.2 H1-Histamine receptor agonism on Guinea pig aorta was evaluated (SEM 0.03-0.18) ChEMBL. 7731015
pD'2 (functional) < 3 Histamine H2 receptor agonism activity was determined on the isolated Guinea pig Atrium was determined as pD'2 ChEMBL. 7731015
pD'2 (functional) < 3 Histamine H2 receptor agonism activity was determined on the isolated Guinea pig Atrium was determined as pD'2 ChEMBL. 7731015
pD2 (functional) = 6.2 Contractile effect on isolated guinea pig ileal segments by H1 (histamine) receptor agonism. ChEMBL. 7731015
pKb (functional) = 8.87000000000001 The H1 receptor-mediated nature of the ileum contractionhas been verified by competition experiments with the H1 receptor antagonist mepyramine ChEMBL. 7731015
pKb (functional) = 9.1 Contractile effects on guinea pig aorta as histamine H1 receptor agonism ChEMBL. 7731015
Relative activity (functional) = 10 % Contractile effect on isolated guinea pig ileal segments is a measure of H1 (histamine) receptor agonistic activity relative to histamine. ChEMBL. 7731015
Relative activity (functional) = 10 % Contractile effect on isolated guinea pig ileal segments is a measure of H1 (histamine) receptor agonistic activity relative to histamine. ChEMBL. 7731015
Relative activity (functional) = 19 % Contractile effect on isolated guinea pig aorta is a measure of H1 (histamine) receptor agonistic activity relative to histamine ChEMBL. 7731015
Relative activity (functional) = 19 % Contractile effect on isolated guinea pig aorta is a measure of H1 (histamine) receptor agonistic activity relative to histamine ChEMBL. 7731015
Relative activity (functional) = 31 % Contractile effect on isolated guinea pig ileal segments is a measure of H1 (histamine) receptor agonistic activity relative to histamine. ChEMBL. 7731015
Relative activity (functional) = 31 % Contractile effect on isolated guinea pig ileal segments is a measure of H1 (histamine) receptor agonistic activity relative to histamine. ChEMBL. 7731015

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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