Detailed information for compound 224983

Basic information

Technical information
  • TDR Targets ID: 224983
  • Name: 6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propy l-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]me thyl]benzimidazole
  • MW: 524.618 | Formula: C32H28N8
  • H donors: 1 H acceptors: 5 LogP: 6.93 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)cc(cc2C)c1nc2n(c1)cccc2
  • InChi: 1S/C32H28N8/c1-3-8-30-34-31-21(2)17-24(27-20-39-16-7-6-11-29(39)33-27)18-28(31)40(30)19-22-12-14-23(15-13-22)25-9-4-5-10-26(25)32-35-37-38-36-32/h4-7,9-18,20H,3,8,19H2,1-2H3,(H,35,36,37,38)
  • InChiKey: HPJCDTXAMABJSO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-(2-imidazo[1,2-a]pyridinyl)-4-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
  • 6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl-1-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
  • 6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl-1-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]benzimidazole

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Type-1B angiotensin II receptor 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
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Type-1B angiotensin II receptor   359 aa 386 aa 24.4 %
Loa Loa (eye worm) neuropeptide F receptor Type-1B angiotensin II receptor   359 aa 344 aa 23.5 %
Echinococcus multilocularis allatostatin A receptor Type-1B angiotensin II receptor   359 aa 342 aa 26.6 %
Onchocerca volvulus Type-1B angiotensin II receptor   359 aa 305 aa 24.9 %
Echinococcus granulosus pyroglutamylated rfamide peptide receptor Type-1B angiotensin II receptor   359 aa 366 aa 19.7 %
Brugia malayi GnHR receptor homolog Type-1B angiotensin II receptor   359 aa 357 aa 20.4 %
Loa Loa (eye worm) hypothetical protein Type-1B angiotensin II receptor   359 aa 329 aa 24.0 %
Echinococcus granulosus growth hormone secretagogue receptor type 1 Type-1B angiotensin II receptor   359 aa 343 aa 23.0 %
Echinococcus granulosus thyrotropin releasing hormone receptor Type-1B angiotensin II receptor   359 aa 363 aa 23.7 %
Schistosoma mansoni peptide (allatostatin)-like receptor Type-1B angiotensin II receptor   359 aa 323 aa 25.7 %
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor Type-1B angiotensin II receptor   359 aa 365 aa 20.0 %
Echinococcus multilocularis neuropeptide receptor Type-1B angiotensin II receptor   359 aa 317 aa 24.9 %
Loa Loa (eye worm) hypothetical protein Type-1B angiotensin II receptor   359 aa 308 aa 27.6 %
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor Type-1B angiotensin II receptor   359 aa 350 aa 23.1 %
Schistosoma mansoni opsin-like receptor Type-1B angiotensin II receptor   359 aa 299 aa 25.8 %
Echinococcus granulosus allatostatin A receptor Type-1B angiotensin II receptor   359 aa 342 aa 27.2 %
Brugia malayi ORL1-like opioid receptor Type-1B angiotensin II receptor   359 aa 314 aa 20.4 %
Onchocerca volvulus Type-1B angiotensin II receptor   359 aa 350 aa 24.0 %
Onchocerca volvulus Type-1B angiotensin II receptor   359 aa 314 aa 25.2 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Type-1B angiotensin II receptor   359 aa 363 aa 23.4 %
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor Type-1B angiotensin II receptor   359 aa 346 aa 18.2 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Type-1B angiotensin II receptor   359 aa 307 aa 24.1 %
Onchocerca volvulus Type-1B angiotensin II receptor   359 aa 355 aa 23.9 %
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily Type-1B angiotensin II receptor   359 aa 300 aa 21.0 %
Echinococcus granulosus neuropeptide receptor Type-1B angiotensin II receptor   359 aa 317 aa 24.6 %
Onchocerca volvulus Type-1B angiotensin II receptor   359 aa 292 aa 24.7 %
Echinococcus multilocularis G-protein coupled receptor, putative Type-1B angiotensin II receptor   359 aa 307 aa 22.1 %
Echinococcus granulosus tm gpcr rhodopsin Type-1B angiotensin II receptor   359 aa 300 aa 21.0 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Type-1B angiotensin II receptor   359 aa 325 aa 20.9 %
Onchocerca volvulus E3 ubiquitin-protein ligase rpm-1 homolog Type-1B angiotensin II receptor   359 aa 354 aa 20.6 %
Brugia malayi putative neuropeptide receptor NPR1 Type-1B angiotensin II receptor   359 aa 295 aa 27.1 %
Onchocerca volvulus Type-1B angiotensin II receptor   359 aa 309 aa 18.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii hypothetical protein 0.0691 1 0.5
Mycobacterium ulcerans peptide deformylase 0.0691 1 0.5
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0691 1 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.0264 0 0.5
Trypanosoma brucei Polypeptide deformylase 1 0.0264 0 0.5
Plasmodium vivax peptide deformylase, putative 0.0691 1 0.5
Leishmania major polypeptide deformylase-like protein, putative 0.0264 0 0.5
Trypanosoma brucei Peptide deformylase 2 0.0264 0 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0264 0 0.5
Plasmodium falciparum peptide deformylase 0.0691 1 0.5
Treponema pallidum polypeptide deformylase (def) 0.0691 1 0.5
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0691 1 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0264 0 0.5
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0691 1 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.0264 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3 nM Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation ChEMBL. 8258826
IC50 (binding) = 3 nM Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation ChEMBL. 8258826

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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