Detailed information for compound 302900

Basic information

Technical information
  • TDR Targets ID: 302900
  • Name: 2-[2-(1H-imidazol-5-yl)ethyl]guanidine
  • MW: 153.185 | Formula: C6H11N5
  • H donors: 3 H acceptors: 1 LogP: -0.81 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)NCCc1c[nH]cn1
  • InChi: 1S/C6H11N5/c7-6(8)10-2-1-5-3-9-4-11-5/h3-4H,1-2H2,(H,9,11)(H4,7,8,10)
  • InChiKey: SDMTWUOOTPJPAH-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N(alpha)-guanilhistamine
  • 2-[2-(3H-imidazol-4-yl)ethyl]guanidine
  • 45974-07-0
  • Guanidine, (2-(1H-imidazol-4-yl)ethyl)-
  • N(alpha)-Guanylhistamine

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
Trichomonas vaginalis fk506 binding protein, putative 0.0182 0.1221 0.1238
Schistosoma mansoni immunophilin 0.1339 1 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.132 0.9863 0.9975
Trichomonas vaginalis immunophilin, putative 0.132 0.9863 1
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0182 0.1221 0.1221
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.132 0.9863 1
Schistosoma mansoni immunophilin 0.1157 0.8621 0.8621
Onchocerca volvulus 0.0185 0.1242 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.132 0.9863 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.1157 0.8621 0.8621
Trichomonas vaginalis fk506-binding protein, putative 0.0182 0.1221 0.1238
Schistosoma mansoni hypothetical protein 0.0182 0.1221 0.1221
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0182 0.1221 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0182 0.1221 0.1238
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0182 0.1221 0.5
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.132 0.9863 1
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0182 0.1221 0.1238
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.132 0.9863 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.1339 1 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.1221 0.1238
Echinococcus multilocularis 0.0182 0.1221 0.1221
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.132 0.9863 1
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0182 0.1221 0.5
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.132 0.9863 1
Leishmania major fk506-binding protein 1-like protein 0.132 0.9863 1
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0182 0.1221 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.1221 0.1238
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0182 0.1221 0.1238
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0182 0.1221 0.5
Onchocerca volvulus 0.0182 0.1221 0.9829
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.02 0.1358 0.1358
Trichomonas vaginalis fk506-binding protein, putative 0.0182 0.1221 0.1238
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.1157 0.8621 0.8621
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.132 0.9863 0.9863
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.1323 0.9884 1
Schistosoma mansoni immunophilin 0.1339 1 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.1339 1 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0182 0.1221 0.5
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0182 0.1221 0.1238
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0182 0.1221 0.1238
Trichomonas vaginalis fk506-binding protein, putative 0.132 0.9863 1
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.132 0.9863 1
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.1221 0.1238
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0182 0.1221 0.1238
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0182 0.1221 0.1238
Echinococcus granulosus FK506 binding protein 2 0.0182 0.1221 0.1221
Echinococcus multilocularis fk506 binding protein 0.132 0.9863 0.9863
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.132 0.9863 1
Schistosoma mansoni fk506 binding protein 0.0182 0.1221 0.1221
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0182 0.1221 0.5
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0182 0.1221 0.1238
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.132 0.9863 1
Loa Loa (eye worm) hypothetical protein 0.1142 0.8505 0.8624
Leishmania major peptidylprolyl isomerase-like protein 0.132 0.9863 1
Loa Loa (eye worm) FKBP5 protein 0.132 0.9863 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.132 0.9863 0.9863
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.1339 1 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0182 0.1221 0.5
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.132 0.9863 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.132 0.9863 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.132 0.9863 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0182 0.1221 0.1238
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0182 0.1221 0.1238
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.132 0.9863 1
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.132 0.9863 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.132 0.9863 1
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0182 0.1221 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) uM Compound was evaluated as nitric oxide producing substrate of bovine Endothelial nitric oxide synthase using the Griess assay; NA means Not active ChEMBL. 10571154
IC50 (binding) uM Compound was evaluated as nitric oxide producing substrate of rat Neuronal nitric oxide synthase using the Griess assay; NA means Not active ChEMBL. 10571154
IC50 (binding) uM Compound was evaluated as nitric oxide producing substrate of mouse Inducible nitric oxide synthase using the Griess assay; NA means Not active ChEMBL. 10571154
IC50 (binding) 0 uM Compound was evaluated as nitric oxide producing substrate of mouse Inducible nitric oxide synthase using the Griess assay; NA means Not active ChEMBL. 10571154
IC50 (binding) 0 uM Compound was evaluated as nitric oxide producing substrate of bovine Endothelial nitric oxide synthase using the Griess assay; NA means Not active ChEMBL. 10571154
IC50 (binding) 0 uM Compound was evaluated as nitric oxide producing substrate of rat Neuronal nitric oxide synthase using the Griess assay; NA means Not active ChEMBL. 10571154
ID50 (functional) > 500 uM kg-1 Tested for inhibition of histamine-stimulated gastric acid secretion in the lumen-perfused anesthetized rat expressed as intravenous dose which reduces a near maximal secretion to 50% ChEMBL. 6120235

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

2 literature references were collected for this gene.

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