Detailed information for compound 1449748

Basic information

Technical information
  • TDR Targets ID: 1449748
  • Name: 3-(2-oxo-2-propylaminoethoxy)-N-(phenylmethyl )benzamide
  • MW: 326.39 | Formula: C19H22N2O3
  • H donors: 2 H acceptors: 2 LogP: 2.9 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNC(=O)COc1cccc(c1)C(=O)NCc1ccccc1
  • InChi: 1S/C19H22N2O3/c1-2-11-20-18(22)14-24-17-10-6-9-16(12-17)19(23)21-13-15-7-4-3-5-8-15/h3-10,12H,2,11,13-14H2,1H3,(H,20,22)(H,21,23)
  • InChiKey: ZZIIMLJGKJSNJZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(2-oxo-2-propylamino-ethoxy)-N-(phenylmethyl)benzamide
  • N-(benzyl)-3-(2-keto-2-propylamino-ethoxy)benzamide
  • T5254378
  • MLS000391424
  • SMR000260460
  • ZINC02662671

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0169 0.5467 0.7093
Loa Loa (eye worm) hypothetical protein 0.0064 0.1536 0.1993
Loa Loa (eye worm) MBCTL1 0.0054 0.1172 0.152
Loa Loa (eye worm) hypothetical protein 0.018 0.5901 0.7656
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0188 0.6179 0.9548
Brugia malayi beta-lactamase 0.0043 0.0768 0.0996
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0924 0.1199
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0188 0.6179 0.9548
Brugia malayi sulfakinin receptor protein 0.0229 0.7708 1
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0924 0.0676
Brugia malayi hypothetical protein 0.0229 0.7708 1
Loa Loa (eye worm) hypothetical protein 0.0229 0.7708 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0074 0.1901 0.264
Brugia malayi prolyl oligopeptidase family protein 0.0059 0.1344 0.1744
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0768 0.0515
Loa Loa (eye worm) hypothetical protein 0.0054 0.1172 0.152
Brugia malayi beta-lactamase family protein 0.0043 0.0768 0.0996
Brugia malayi mbt repeat family protein 0.0048 0.0924 0.1199
Onchocerca volvulus 0.0043 0.0768 0.7621
Loa Loa (eye worm) hypothetical protein 0.006 0.1395 0.181
Loa Loa (eye worm) hypothetical protein 0.0043 0.0768 0.0996
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0059 0.1344 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0924 0.0676
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.1172 0.152
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0768 0.081
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0195 0.6459 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0059 0.1344 1
Mycobacterium ulcerans lipase LipD 0.0043 0.0768 0.5
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0169 0.5467 0.7093
Loa Loa (eye worm) hypothetical protein 0.0043 0.0768 0.0996
Schistosoma mansoni hypothetical protein 0.0041 0.0681 0.0426
Echinococcus granulosus muscleblind protein 0.018 0.5901 0.9099
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0069 0.1719 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0768 0.5
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.1172 0.093
Brugia malayi beta-lactamase family protein 0.0043 0.0768 0.0996
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0768 0.0996
Toxoplasma gondii hypothetical protein 0.0169 0.5467 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0059 0.1344 0.1741
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0924 0.1063
Onchocerca volvulus 0.0043 0.0768 0.7621
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.1172 0.1462
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1395 0.181
Loa Loa (eye worm) hypothetical protein 0.0043 0.0768 0.0996
Loa Loa (eye worm) hypothetical protein 0.0041 0.0681 0.0883
Onchocerca volvulus 0.0048 0.0924 1
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0924 0.1063
Loa Loa (eye worm) hypothetical protein 0.0169 0.5467 0.7093
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0074 0.1901 0.264
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.0195 0.6459 0.6362
Brugia malayi mbt repeat family protein 0.0048 0.0924 0.1199
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0768 0.5
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0924 0.1063
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0059 0.1344 0.1108
Loa Loa (eye worm) hypothetical protein 0.0036 0.0482 0.0625
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0768 0.0515
Brugia malayi Muscleblind-like protein 0.018 0.5901 0.7656
Loa Loa (eye worm) beta-lactamase 0.0043 0.0768 0.0996
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.0195 0.6459 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0059 0.1344 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0768 0.0996
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0924 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.0768 0.5
Mycobacterium ulcerans beta-lactamase 0.0043 0.0768 0.5
Schistosoma mansoni voltage-gated potassium channel 0.008 0.2155 0.194
Echinococcus granulosus Dipeptidyl peptidase 9 0.0059 0.1344 0.1741
Schistosoma mansoni voltage-gated potassium channel 0.008 0.2155 0.194
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0069 0.1719 1
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0924 0.1063
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0059 0.1344 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.9553 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.1172 0.1462
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0074 0.1901 0.2466
Mycobacterium leprae Probable lipase LipE 0.0043 0.0768 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.5901 0.7656
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.1172 0.1462
Loa Loa (eye worm) hypothetical protein 0.0169 0.5467 0.7093
Toxoplasma gondii ABC1 family protein 0.0043 0.0768 0.0965
Loa Loa (eye worm) prolyl oligopeptidase 0.003 0.0266 0.0345
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0768 0.0996
Loa Loa (eye worm) hypothetical protein 0.0048 0.0924 0.1199
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.1172 0.1462
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0768 0.081
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1395 0.181
Loa Loa (eye worm) hypothetical protein 0.0043 0.0768 0.0996
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0059 0.1344 1
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0924 0.0676
Loa Loa (eye worm) hypothetical protein 0.0043 0.0768 0.0996
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0768 0.5
Echinococcus multilocularis muscleblind protein 0.018 0.5901 0.9099
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0681 0.0883
Echinococcus multilocularis muscleblind protein 1 0.018 0.5901 0.9099
Brugia malayi prolyl oligopeptidase family protein 0.003 0.0266 0.0345
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0074 0.1901 0.2466
Onchocerca volvulus 0.0043 0.0768 0.7621
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1395 0.181
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0768 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3162 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.6169 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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