Detailed information for compound 302635

Basic information

Technical information
  • TDR Targets ID: 302635
  • Name: 2-(8-phenylmethoxy-2-propan-2-ylimidazo[1,2-a ]pyridin-3-yl)acetonitrile
  • MW: 305.374 | Formula: C19H19N3O
  • H donors: 0 H acceptors: 2 LogP: 4.08 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCc1c(nc2n1cccc2OCc1ccccc1)C(C)C
  • InChi: 1S/C19H19N3O/c1-14(2)18-16(10-11-20)22-12-6-9-17(19(22)21-18)23-13-15-7-4-3-5-8-15/h3-9,12,14H,10,13H2,1-2H3
  • InChiKey: APACRSXJPQQZKW-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(8-benzyloxy-2-isopropyl-imidazo[1,2-a]pyridin-3-yl)acetonitrile
  • 2-(8-benzyloxy-2-isopropyl-3-imidazo[1,2-a]pyridinyl)acetonitrile
  • 2-(8-phenylmethoxy-2-propan-2-yl-imidazo[1,2-a]pyridin-3-yl)ethanenitrile
  • 2-(8-benzoxy-2-isopropyl-imidazo[1,2-a]pyridin-3-yl)acetonitrile
  • 2-[8-(phenylmethoxy)-2-propan-2-ylimidazo[3,2-a]pyridin-3-yl]acetonitrile
  • 2-[2-isopropyl-8-(phenylmethoxy)imidazo[3,2-a]pyridin-3-yl]acetonitrile
  • 2-[2-isopropyl-8-(phenylmethoxy)-3-imidazo[3,2-a]pyridinyl]acetonitrile
  • 2-[8-(benzyloxy)-2-isopropyl-imidazo[3,2-a]pyridin-3-yl]acetonitrile
  • 2-[8-(phenylmethoxy)-2-propan-2-yl-imidazo[3,2-a]pyridin-3-yl]ethanenitrile

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
Schistosoma mansoni hormone-sensitive lipase (S09 family) 1.5212 1 1
Mycobacterium ulcerans lipase LipU 0.0258 0.0065 0.5
Mycobacterium ulcerans esterase LipW 0.0258 0.0065 0.5
Leishmania major ecotin, putative 0.0258 0.0065 0.5
Onchocerca volvulus 0.0258 0.0065 1
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.0258 0.0065 0.5
Mycobacterium ulcerans esterase LipC 0.0258 0.0065 0.5
Mycobacterium tuberculosis Possible esterase LipW 0.0258 0.0065 0.5
Mycobacterium ulcerans membrane-bound esterase LipM 0.0258 0.0065 0.5
Brugia malayi aryl-acylamidase 0.0258 0.0065 1
Trichomonas vaginalis Esterase, putative 0.0258 0.0065 0.5
Treponema pallidum N-acetylphosphinothricin-tripetide-deacetylase 0.0258 0.0065 0.5
Trypanosoma cruzi Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0258 0.0065 0.5
Mycobacterium leprae Possible lipase LipU 0.0258 0.0065 0.5
Mycobacterium tuberculosis Probable esterase/lipase LipF 0.0258 0.0065 0.5
Schistosoma mansoni hormone-sensitive lipase (S09 family) 1.5212 1 1
Mycobacterium ulcerans lipase LipI 0.0258 0.0065 0.5
Mycobacterium ulcerans esterase LipO 0.0258 0.0065 0.5
Mycobacterium tuberculosis Possible lipase LipU 0.0258 0.0065 0.5
Mycobacterium tuberculosis Probable esterase LipM 0.0258 0.0065 0.5
Trichomonas vaginalis Esterase, putative 0.0258 0.0065 0.5
Trypanosoma cruzi Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0258 0.0065 0.5
Mycobacterium tuberculosis Probable lipase/esterase LipN 0.0258 0.0065 0.5
Mycobacterium tuberculosis Probable non lipolytic carboxylesterase NlhH 0.0258 0.0065 0.5
Mycobacterium tuberculosis Putative acetyl hydrolase MbtJ 0.0258 0.0065 0.5
Trypanosoma cruzi Alpha/beta hydrolase domain-containing protein 0.0258 0.0065 0.5
Leishmania major hypothetical protein, conserved 0.0258 0.0065 0.5
Mycobacterium ulcerans esterase/lipase 0.0258 0.0065 0.5
Mycobacterium ulcerans lipase LipH 0.0258 0.0065 0.5
Loa Loa (eye worm) aryl-acylamidase 0.0258 0.0065 0.0065
Trypanosoma cruzi serine peptidase, Clan SC, Family S9D 0.0258 0.0065 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0258 0.0065 0.5
Mycobacterium tuberculosis Probable esterase LipO 0.0258 0.0065 0.5
Mycobacterium ulcerans acetyl hydrolase MbtJ 0.0258 0.0065 0.5
Loa Loa (eye worm) hypothetical protein 1.5212 1 1
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.0258 0.0065 0.5
Mycobacterium tuberculosis Probable lipase LipH 0.0258 0.0065 0.5
Schistosoma mansoni hormone-sensitive lipase (S09 family) 1.5212 1 1
Mycobacterium tuberculosis Probable carboxylesterase LipQ 0.0258 0.0065 0.5
Mycobacterium ulcerans hypothetical protein 0.0258 0.0065 0.5
Mycobacterium ulcerans lipase/esterase LipN 0.0258 0.0065 0.5
Loa Loa (eye worm) ammd protein 0.0258 0.0065 0.0065
Mycobacterium ulcerans lipase LipU 0.0258 0.0065 0.5
Mycobacterium tuberculosis Probable acetyl-hydrolase/esterase LipR 0.0258 0.0065 0.5
Trypanosoma brucei Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0258 0.0065 0.5
Mycobacterium tuberculosis Probable esterase LipC 0.0258 0.0065 0.5
Mycobacterium ulcerans carboxylesterase LipQ 0.0258 0.0065 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0258 0.0065 0.0065
Echinococcus multilocularis hormone sensitive lipase 1.5212 1 1
Trichomonas vaginalis Esterase, putative 0.0258 0.0065 0.5

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 5 mg kg-1 Oral gastric cytoprotective activity in the rat against ethanol-induced lesions ChEMBL. 4009611
Inhibition (functional) = 36 % Inhibition of histamine stimulated gastric acid secretion in mongrel dogs following 4 mg/kg p.o. administration. ChEMBL. 4009611
Inhibition (functional) = 39 % Inhibition of histamine stimulated gastric acid secretion in adult mongrel dogs at dose 8 mg/kg given orally ChEMBL. 4009611
Inhibition (functional) = 72 % Gastric antisecretory activity in the pylorus-ligated rat and the reduction in acid output was measured after 4 hr by intraperitoneal (ip) administration of 40 mg/kg dose. ChEMBL. 4009611
Inhibition (functional) = 96 % Inhibition of histamine stimulated gastric acid secretion in adult mongrel dogs at dose 5 mg/kg given intravenously ChEMBL. 4009611

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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