Detailed information for compound 170495

Basic information

Technical information
  • TDR Targets ID: 170495
  • Name: ethyl 2-(4-aminophenyl)-4-[4-[(2-methylimidaz o[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-4 -oxobutanoate
  • MW: 449.545 | Formula: C25H31N5O3
  • H donors: 1 H acceptors: 4 LogP: 2.08 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C(c1ccc(cc1)N)CC(=O)N1CCC(CC1)Cn1c(C)nc2c1ccnc2
  • InChi: 1S/C25H31N5O3/c1-3-33-25(32)21(19-4-6-20(26)7-5-19)14-24(31)29-12-9-18(10-13-29)16-30-17(2)28-22-15-27-11-8-23(22)30/h4-8,11,15,18,21H,3,9-10,12-14,16,26H2,1-2H3
  • InChiKey: GPXMHLKBVVKXLO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-(4-aminophenyl)-4-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-1-piperidyl]-4-oxo-butanoate
  • 2-(4-aminophenyl)-4-[4-[(2-methyl-1-imidazo[4,5-c]pyridinyl)methyl]-1-piperidinyl]-4-oxobutanoic acid ethyl ester
  • ethyl 2-(4-aminophenyl)-4-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-4-oxo-butanoate
  • 2-(4-aminophenyl)-4-keto-4-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidino]butyric acid ethyl ester
  • 2-(4-aminophenyl)-4-keto-4-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-1-piperidyl]butyric acid ethyl ester

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 hypothetical protein 0.003 0.703 0.703
Echinococcus granulosus voltage gated potassium channel 0.0011 0.1028 0.1145
Echinococcus granulosus FMRFamide activated amiloride sensitive sodium 0.003 0.703 0.7836
Schistosoma mansoni hypothetical protein 0.003 0.703 0.703
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.1028 0.1145
Schistosoma mansoni FMRFamide-gated Na+ channel 0.003 0.703 0.703
Loa Loa (eye worm) hypothetical protein 0.0032 0.7495 0.8354
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.003 0.703 0.7836
Echinococcus granulosus FMRFamide activated amiloride sensitive sodium 0.003 0.703 0.7836
Onchocerca volvulus 0.003 0.703 0.5
Loa Loa (eye worm) amiloride-sensitive sodium channel 0.003 0.703 0.7836
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0037 0.8972 1
Echinococcus granulosus Na channel amiloride sensitive 0.003 0.703 0.7836
Schistosoma mansoni amiloride-sensitive sodium channel-related 0.003 0.703 0.703
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.8236 1
Brugia malayi Degenerin-like protein ZK770.1 in chromosome I, putative 0.003 0.703 0.7836
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0037 0.8972 1
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.003 0.703 0.7836
Loa Loa (eye worm) hypothetical protein 0.003 0.703 0.7836
Loa Loa (eye worm) hypothetical protein 0.003 0.703 0.7836
Schistosoma mansoni hypothetical protein 0.003 0.703 0.703
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.1028 0.1145
Echinococcus granulosus FMRFamide activated amiloride sensitive sodium 0.003 0.703 0.7836
Schistosoma mansoni acid sensing ion channel 4 pituitary 0.003 0.703 0.703
Loa Loa (eye worm) hypothetical protein 0.003 0.703 0.7836
Loa Loa (eye worm) degenerin unc-8 0.003 0.703 0.7836
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.003 0.703 0.7836
Schistosoma mansoni hypothetical protein 0.003 0.703 0.703
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.003 0.703 0.7836
Echinococcus multilocularis Na+ channel, amiloride sensitive 0.003 0.703 0.7836
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.8972 1
Schistosoma mansoni amiloride-sensitive sodium channel-related 0.003 0.703 0.703
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.1028 0.1145
Echinococcus granulosus amiloride sensitive cation channel 4 A 0.003 0.703 0.7836
Echinococcus multilocularis amiloride sensitive cation channel acid sensing ion channel pituitary 0.003 0.703 0.7836
Schistosoma mansoni hypothetical protein 0.003 0.703 0.703
Echinococcus granulosus sodium channel nonvoltage gated 1 alpha 0.003 0.703 0.7836
Brugia malayi Degenerin-like protein C41C4.5 in chromosome II, putative 0.003 0.703 0.7836
Loa Loa (eye worm) hypothetical protein 0.0011 0.1028 0.1145
Schistosoma mansoni hypothetical protein 0.003 0.703 0.703
Schistosoma mansoni hypothetical protein 0.003 0.703 0.703
Loa Loa (eye worm) hypothetical protein 0.003 0.703 0.7836
Echinococcus granulosus amiloride sensitive cation channel 0.003 0.703 0.7836
Brugia malayi amiloride-sensitive sodium channel alpha-subunit, putative 0.003 0.703 0.7836
Echinococcus granulosus amiloride sensitive sodium channel 0.003 0.703 0.7836
Loa Loa (eye worm) hypothetical protein 0.003 0.703 0.7836
Echinococcus multilocularis sodium channel nonvoltage gated 1 alpha 0.003 0.703 0.7836
Loa Loa (eye worm) hypothetical protein 0.003 0.703 0.7836
Brugia malayi Amiloride-sensitive sodium channel family protein 0.003 0.703 0.7836
Echinococcus granulosus Na channel amiloride sensitive 0.003 0.703 0.7836
Echinococcus multilocularis Na+ channel, amiloride sensitive 0.003 0.703 0.7836
Loa Loa (eye worm) amiloride-sensitive sodium channel family protein 0.003 0.703 0.7836
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.8972 1
Echinococcus multilocularis amiloride sensitive cation channel 4 A 0.003 0.703 0.7836
Echinococcus granulosus amiloride sensitive cation channel 4 A 0.003 0.703 0.7836
Loa Loa (eye worm) amiloride-sensitive sodium channel family protein 0.003 0.703 0.7836
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.003 0.703 0.7836
Schistosoma mansoni voltage-gated potassium channel 0.004 1 1
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.003 0.703 0.7836
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.8236 1
Brugia malayi Degenerin mec-4 0.003 0.703 0.7836
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.003 0.703 0.7836
Loa Loa (eye worm) hypothetical protein 0.003 0.703 0.7836
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.003 0.703 0.7836
Brugia malayi Degenerin unc-8 0.003 0.703 0.7836
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.1028 0.1028
Schistosoma mansoni amiloride-sensitive sodium channel-related 0.003 0.703 0.703
Schistosoma mansoni amiloride-sensitive sodium channel-related 0.003 0.703 0.703
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.1028 0.1145
Schistosoma mansoni hypothetical protein 0.003 0.703 0.703
Echinococcus multilocularis protein vprbp 0.003 0.703 0.7836
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.1028 0.1028
Brugia malayi Amiloride-sensitive sodium channel family protein 0.003 0.703 0.7836
Echinococcus granulosus FMRFamide activated amiloride sensitive sodium 0.003 0.703 0.7836
Echinococcus multilocularis amiloride sensitive cation channel 4 A 0.003 0.703 0.7836
Echinococcus granulosus protein vprbp 0.003 0.703 0.7836
Onchocerca volvulus 0.003 0.703 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.074 uM Concentration required to inhibit PAF-induced maximum aggregation by 50% ChEMBL. 11520209
ID50 (functional) = 0.56 mg kg-1 Dose required to reduce the lowering of the arterial blood pressure caused by PAF by 50 %. ChEMBL. 11520209

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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