Detailed information for compound 1536848

Basic information

Technical information
  • TDR Targets ID: 1536848
  • Name: methyl (2R)-2-[(2,6-dimethylphenyl)-(2-methox yacetyl)amino]propanoate
  • MW: 279.332 | Formula: C15H21NO4
  • H donors: 0 H acceptors: 2 LogP: 2.22 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCC(=O)N(c1c(C)cccc1C)[C@@H](C(=O)OC)C
  • InChi: 1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1
  • InChiKey: ZQEIXNIJLIKNTD-GFCCVEGCSA-N  

Network

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Synonyms

  • (2R)-2-[(2,6-dimethylphenyl)-(2-methoxy-1-oxoethyl)amino]propanoic acid methyl ester
  • (2R)-2-[(2,6-dimethylphenyl)-(2-methoxyacetyl)amino]propionic acid methyl ester
  • methyl (2R)-2-[(2,6-dimethylphenyl)-(2-methoxyethanoyl)amino]propanoate
  • NCGC00163907-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens peroxisome proliferator-activated receptor delta 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
Brugia malayi ecdysteroid receptor peroxisome proliferator-activated receptor delta 441 aa 369 aa 24.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0149 0.5875 0.6584
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0607 0.7652
Toxoplasma gondii ABC1 family protein 0.0038 0.0793 1
Mycobacterium ulcerans beta-lactamase 0.0038 0.0793 0.4388
Entamoeba histolytica protein kinase domain containing protein 0.0042 0.1014 0.2544
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0719 0.595
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.1233 0.1382
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0021 0.0027 0.0147
Leishmania major DNA polymerase eta, putative 0.0033 0.0577 0.3195
Loa Loa (eye worm) hypothetical protein 0.0038 0.0793 0.0888
Brugia malayi plexin A 0.0216 0.8923 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.006 0.1807 0.1807
Schistosoma mansoni plexin 0.0183 0.74 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0793 0.0888
Loa Loa (eye worm) hypothetical protein 0.0036 0.0719 0.0806
Onchocerca volvulus 0.0074 0.2435 0.3095
Echinococcus multilocularis exocyst complex component 2 0.0033 0.0607 0.068
Echinococcus granulosus plexin a4 0.0216 0.8923 1
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0793 0.0793
Schistosoma mansoni hypothetical protein 0.0047 0.1233 0.1666
Schistosoma mansoni hypothetical protein 0.0047 0.1233 0.1666
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0021 0.0027 0.0147
Loa Loa (eye worm) plexin A 0.0216 0.8923 1
Loa Loa (eye worm) sema domain-containing protein 0.0076 0.2559 0.2868
Brugia malayi Sema domain containing protein 0.0076 0.2559 0.2868
Loa Loa (eye worm) hypothetical protein 0.0047 0.1233 0.1382
Mycobacterium leprae Probable lipase LipE 0.0038 0.0793 1
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0033 0.0607 0.7652
Brugia malayi Latrophilin receptor protein 2 0.0047 0.1233 0.1382
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0209 0.0525
Brugia malayi Probable exocyst complex component Sec5 0.0033 0.0607 0.068
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.0719 0.0806
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0719 0.9072
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0793 1
Schistosoma mansoni hypothetical protein 0.0033 0.0607 0.082
Loa Loa (eye worm) hypothetical protein 0.0038 0.0793 0.0888
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0607 0.7652
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0021 0.0027 0.0027
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0209 0.0235
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0719 0.0806
Loa Loa (eye worm) hypothetical protein 0.0076 0.2559 0.2868
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0033 0.0607 0.7652
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.0719 0.0806
Loa Loa (eye worm) hypothetical protein 0.0183 0.74 0.8294
Schistosoma mansoni hypothetical protein 0.0047 0.1233 0.1666
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0607 0.7652
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0209 0.1158
Trypanosoma cruzi DNA polymerase eta, putative 0.0033 0.0577 0.4775
Entamoeba histolytica hypothetical protein 0.0108 0.3985 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.2435 0.2729
Loa Loa (eye worm) hypothetical protein 0.0102 0.3726 0.4176
Trypanosoma cruzi DNA polymerase eta, putative 0.0047 0.1209 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0209 0.0235
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0149 0.5875 0.6584
Echinococcus multilocularis transcription factor collier 0.0033 0.0607 0.068
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0793 1
Echinococcus granulosus semaphorin 5B 0.0076 0.2559 0.2868
Loa Loa (eye worm) hypothetical protein 0.0076 0.2559 0.2868
Brugia malayi hypothetical protein 0.0076 0.2559 0.2868
Echinococcus granulosus geminin 0.015 0.5913 0.6627
Loa Loa (eye worm) hypothetical protein 0.0106 0.3925 0.4399
Leishmania major phosphopantetheinyl transferase-like protein 0.0021 0.0027 0.0147
Schistosoma mansoni fibrocystin l 0.0033 0.0607 0.082
Entamoeba histolytica hypothetical protein 0.0108 0.3985 1
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0033 0.0607 0.7652
Loa Loa (eye worm) hypothetical protein 0.0038 0.0793 0.0888
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0209 0.1158
Echinococcus granulosus L aminoadipate semialdehyde 0.0074 0.2435 0.2729
Entamoeba histolytica hypothetical protein 0.0033 0.0607 0.1522
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.1807 0.2025
Loa Loa (eye worm) hypothetical protein 0.0038 0.0793 0.0888
Schistosoma mansoni hypothetical protein 0.015 0.5913 0.799
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0793 0.1071
Trypanosoma brucei DNA polymerase eta, putative 0.0047 0.1209 1
Schistosoma mansoni hypothetical protein 0.0033 0.0607 0.082
Loa Loa (eye worm) hypothetical protein 0.0033 0.0607 0.068
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0.0719 1
Leishmania major hypothetical protein, conserved 0.0038 0.0793 0.4388
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.0719 0.3981
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0793 0.0793
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0108 0.3985 0.4466
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0793 0.0793
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0209 0.0525
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.1233 0.1382
Loa Loa (eye worm) hypothetical protein 0.0076 0.2559 0.2868
Schistosoma mansoni hypothetical protein 0.0102 0.3726 0.5035
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.1233 0.1382
Schistosoma mansoni hypothetical protein 0.0106 0.3925 0.5304
Mycobacterium ulcerans hypothetical protein 0.0038 0.0793 0.4388
Schistosoma mansoni hypothetical protein 0.0047 0.1233 0.1666
Echinococcus granulosus dna polymerase eta 0.0047 0.1209 0.1355
Echinococcus multilocularis plexin a4 0.0216 0.8923 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0209 0.0525
Echinococcus multilocularis dna polymerase eta 0.0047 0.1209 0.1355
Onchocerca volvulus 0.0038 0.0793 0.0811
Echinococcus multilocularis hypothetical protein 0.0076 0.2559 0.2868
Echinococcus granulosus semaphorin 1A 0.0076 0.2559 0.2868
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0209 0.0235
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0719 0.595
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.006 0.1807 1
Echinococcus granulosus exocyst complex component 2 0.0033 0.0607 0.068
Schistosoma mansoni semaphorin 5-related 0.0076 0.2559 0.3458
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0209 0.1158
Brugia malayi Plexin repeat family protein 0.0183 0.74 0.8294
Echinococcus multilocularis semaphorin 5B 0.0076 0.2559 0.2868
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0209 0.1158
Mycobacterium tuberculosis Conserved protein 0.0038 0.0793 0.0793
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0719 0.595
Mycobacterium tuberculosis Conserved protein 0.0038 0.0793 0.0793
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0209 0.0209
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0021 0.0027 0.5
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0033 0.0607 0.7652
Loa Loa (eye worm) hypothetical protein 0.0033 0.0607 0.068
Brugia malayi Sema domain containing protein 0.0076 0.2559 0.2868
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0793 0.6558
Brugia malayi beta-lactamase 0.0038 0.0793 0.0888
Loa Loa (eye worm) hypothetical protein 0.0025 0.0209 0.0235
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0209 0.1158
Brugia malayi ImpB/MucB/SamB family protein 0.0047 0.1209 0.1355
Entamoeba histolytica hypothetical protein 0.0108 0.3985 1
Entamoeba histolytica hypothetical protein 0.0033 0.0607 0.1522
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0074 0.2435 0.2729
Onchocerca volvulus 0.0038 0.0793 0.0811
Trypanosoma brucei hypothetical protein, conserved 0.0021 0.0027 0.022
Echinococcus granulosus GPCR family 2 0.0047 0.1233 0.1382
Entamoeba histolytica hypothetical protein 0.0021 0.0027 0.0067
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.006 0.1807 0.2025
Brugia malayi DNA-binding protein LAG-1 0.0033 0.0607 0.068
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.0719 0.0806
Loa Loa (eye worm) hypothetical protein 0.0033 0.0607 0.068
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.006 0.1807 0.2441
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0607 0.7652
Schistosoma mansoni plexin 0.0106 0.3925 0.5304
Brugia malayi IPT/TIG domain containing protein 0.0033 0.0607 0.068
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0793 1
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0793 0.6558
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.006 0.1807 1
Entamoeba histolytica hypothetical protein 0.0108 0.3985 1
Schistosoma mansoni hypothetical protein 0.0076 0.2559 0.3458
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0209 0.1158
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0793 0.0793
Onchocerca volvulus 0.0183 0.74 1
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0021 0.0027 0.5
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.0719 0.1805
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0074 0.2435 0.329
Brugia malayi Calcitonin receptor-like protein seb-1 0.0149 0.5875 0.6584
Schistosoma mansoni DNA polymerase eta 0.0047 0.1209 0.1634
Mycobacterium tuberculosis Conserved protein 0.0038 0.0793 0.0793
Entamoeba histolytica cell surface protease gp63, putative 0.0033 0.0607 0.1522
Mycobacterium ulcerans hypothetical protein 0.0025 0.0209 0.1158
Loa Loa (eye worm) hypothetical protein 0.0047 0.1209 0.1355
Echinococcus multilocularis geminin 0.015 0.5913 0.6627
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0033 0.0577 0.7188
Mycobacterium ulcerans lipase LipD 0.0038 0.0793 0.4388
Brugia malayi hypothetical protein 0.0108 0.3985 0.4466
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0607 0.7652
Loa Loa (eye worm) sema domain-containing protein 0.0076 0.2559 0.2868
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0607 0.7652
Brugia malayi beta-lactamase family protein 0.0038 0.0793 0.0888
Leishmania major DNA polymerase eta, putative 0.0047 0.1209 0.6692
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.1623 0.1819
Brugia malayi hypothetical protein 0.0076 0.2559 0.2868
Entamoeba histolytica hypothetical protein 0.0033 0.0607 0.1522
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0793 0.6558
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0793 0.0888
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0719 0.0806
Onchocerca volvulus 0.0076 0.2559 0.3268
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0033 0.0607 0.7652
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0793 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0719 0.0806
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0209 0.0209
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0793 0.4388
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0021 0.0027 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0793 0.1071
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0719 0.9072
Echinococcus multilocularis GPCR, family 2 0.0047 0.1233 0.1382
Loa Loa (eye worm) hypothetical protein 0.0076 0.2559 0.2868
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0793 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.006 0.1807 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0607 0.068
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0209 0.1158
Schistosoma mansoni hypothetical protein 0.015 0.5913 0.799
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0793 0.0888
Loa Loa (eye worm) beta-lactamase 0.0038 0.0793 0.0888
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0209 0.1158
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0209 0.2385
Echinococcus granulosus transcription factor collier 0.0033 0.0607 0.068
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.0719 0.0972
Entamoeba histolytica hypothetical protein 0.0033 0.0607 0.1522
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0793 0.0793
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0793 0.0888
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0719 0.9072
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0793 0.4388
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0793 1
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0793 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.1233 0.1382
Loa Loa (eye worm) hypothetical protein 0.0038 0.0793 0.0888
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0209 0.1158
Schistosoma mansoni transcription factor LCR-F1 0.0108 0.3985 0.5385
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0209 0.0235
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0607 0.7652
Loa Loa (eye worm) hypothetical protein 0.0025 0.0209 0.0235
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0793 0.0888
Entamoeba histolytica tyrosin kinase, putative 0.0042 0.1014 0.2544
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0793 0.0793
Brugia malayi latrophilin 2 splice variant baaae 0.0102 0.3726 0.4176
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.0719 0.0972
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.1233 0.1382
Trichomonas vaginalis esterase, putative 0.0038 0.0793 1
Onchocerca volvulus 0.0038 0.0793 0.0811
Schistosoma mansoni hypothetical protein 0.0108 0.3985 0.5385
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0209 0.1158
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0719 0.0806
Brugia malayi beta-lactamase family protein 0.0038 0.0793 0.0888
Schistosoma mansoni hypothetical protein 0.0076 0.2559 0.3458
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0793 0.0793
Echinococcus multilocularis L aminoadipate semialdehyde 0.0074 0.2435 0.2729
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0108 0.3985 0.4466
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.1233 0.1382
Loa Loa (eye worm) hypothetical protein 0.0076 0.2559 0.2868
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0209 0.2385
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0021 0.0027 0.5
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.1807 0.2025
Loa Loa (eye worm) hypothetical protein 0.0076 0.2559 0.2868
Loa Loa (eye worm) hypothetical protein 0.0149 0.5875 0.6584

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor delta signaling. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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