Detailed information for compound 672929

Basic information

Technical information
  • TDR Targets ID: 672929
  • Name: methyl 5-chloro-2-methoxy-4-(3-phenylpropanoy lamino)benzoate
  • MW: 347.793 | Formula: C18H18ClNO4
  • H donors: 1 H acceptors: 2 LogP: 3.44 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cc(Cl)c(cc1OC)NC(=O)CCc1ccccc1
  • InChi: 1S/C18H18ClNO4/c1-23-16-11-15(14(19)10-13(16)18(22)24-2)20-17(21)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,20,21)
  • InChiKey: YRSZKESVPHOZCF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-chloro-2-methoxy-4-[(1-oxo-3-phenylpropyl)amino]benzoic acid methyl ester
  • 5-chloro-2-methoxy-4-(3-phenylpropanoylamino)benzoic acid methyl ester
  • ZINC00142433
  • ST5190138
  • Oprea1_854204

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 0.0389 1 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.15 0.485
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0209 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0538 0.0538
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0114 0.253 0.253
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0086 0.1778 0.7028
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0059 0.105 0.105
Loa Loa (eye worm) hypothetical protein 0.0059 0.105 0.3395
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.003 0.0244 0.137
Brugia malayi mbt repeat family protein 0.0052 0.0854 0.276
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0854 0.0854
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0114 0.253 0.253
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0209 0.0825
Loa Loa (eye worm) MBCTL1 0.0059 0.105 0.3395
Schistosoma mansoni hypothetical protein 0.0038 0.048 0.048
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.2183 0.2183
Brugia malayi Bromodomain containing protein 0.0034 0.0346 0.112
Loa Loa (eye worm) jmjC domain-containing protein 0.0069 0.1315 0.4252
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0346 0.1369
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0086 0.1778 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0057 0.0972 0.0972
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.2183 0.2183
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.0538 0.1739
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0086 0.1778 0.7028
Giardia lamblia PHD finger protein 15 0.0034 0.0346 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.021 0.5133 0.5133
Toxoplasma gondii melibiase subfamily protein 0.0114 0.253 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0996 0.3221
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0209 0.1173
Brugia malayi jmjC domain containing protein 0.011 0.2415 0.7811
Loa Loa (eye worm) hypothetical protein 0.0038 0.048 0.1553
Brugia malayi jmjC domain containing protein 0.0041 0.0538 0.1739
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0101 0.2183 0.7059
Echinococcus granulosus peptidase Clp S14 family 0.0057 0.0972 0.0972
Loa Loa (eye worm) MH2 domain-containing protein 0.0135 0.3092 1
Schistosoma mansoni hypothetical protein 0.0389 1 1
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0854 0.0854
Echinococcus multilocularis SAM and MBT domain containing protein 0.0052 0.0854 0.0854
Loa Loa (eye worm) PHD-finger family protein 0.0034 0.0346 0.112
Schistosoma mansoni jumonji domain containing protein 0.0087 0.1803 0.1803
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0057 0.0972 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.2183 0.2183
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0114 0.253 0.253
Brugia malayi Cytochrome P450 family protein 0.0025 0.012 0.0388
Loa Loa (eye worm) transcription factor SMAD2 0.0135 0.3092 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.2183 0.2183
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0086 0.1778 1
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0114 0.253 0.253
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0076 0.15 0.15
Brugia malayi hypothetical protein 0.0028 0.0209 0.0675
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0059 0.105 0.105
Loa Loa (eye worm) hypothetical protein 0.0052 0.0854 0.276
Toxoplasma gondii hypothetical protein 0.003 0.0244 0.0963
Echinococcus multilocularis histone acetyltransferase MYST2 0.0059 0.105 0.105
Echinococcus granulosus polycomb protein SCMH1 0.0052 0.0854 0.0854
Brugia malayi PHD-finger family protein 0.0034 0.0346 0.112
Brugia malayi MH2 domain containing protein 0.0135 0.3092 1
Loa Loa (eye worm) mbt repeat family protein 0.0052 0.0854 0.276
Loa Loa (eye worm) hypothetical protein 0.0056 0.0963 0.3115
Echinococcus granulosus histone acetyltransferase MYST2 0.0059 0.105 0.105
Brugia malayi Melibiase family protein 0.0076 0.15 0.485
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0114 0.253 0.253
Schistosoma mansoni hypothetical protein 0.0322 0.8163 0.8163
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.021 0.5133 0.5133
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0114 0.253 0.253
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0346 0.1369
Brugia malayi Probable ClpP-like protease 0.0086 0.1778 0.5751
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0101 0.2183 0.7059
Plasmodium vivax hypothetical protein, conserved 0.0034 0.0346 0.1947
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0963 0.3115
Loa Loa (eye worm) hypothetical protein 0.0034 0.0346 0.112
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0059 0.105 0.3395
Echinococcus granulosus SAM and MBT domain containing protein 0.0052 0.0854 0.0854
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0 0.5
Schistosoma mansoni peptidase Clp (S14 family) 0.0086 0.1778 0.1778
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.011 0.2415 0.2415
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.2183 0.2183
Loa Loa (eye worm) hypothetical protein 0.0028 0.0209 0.0675
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0209 0.1173
Leishmania major hypothetical protein, conserved 0.0028 0.0209 1
Echinococcus multilocularis geminin 0.0389 1 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.011 0.2415 0.2415
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.0538 0.0538
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0538 0.0538
Echinococcus granulosus peregrin 0.0034 0.0346 0.0346
Echinococcus multilocularis lysine specific demethylase 5A 0.0041 0.0538 0.0538
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0086 0.1778 1
Echinococcus multilocularis peregrin 0.0034 0.0346 0.0346
Brugia malayi mbt repeat family protein 0.0052 0.0854 0.276
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.003 0.0244 0.137
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.012 0.0388
Loa Loa (eye worm) hypothetical protein 0.0086 0.1778 0.5751
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0209 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.2183 0.2183
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0057 0.0972 0.4744
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0034 0.0346 0.0346
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0209 0.1173
Echinococcus granulosus jumonji domain containing protein 0.0047 0.0702 0.0702
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0076 0.15 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0963 0.3115
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0076 0.15 0.15
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0052 0.0854 0.0854
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0086 0.1778 0.1778
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.003 0.0244 0.137
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0209 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0086 0.1778 0.1778
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0086 0.1778 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0057 0.0972 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0052 0.0854 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0086 0.1778 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0086 0.1778 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0963 0.3115
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0086 0.1778 1
Onchocerca volvulus 0.0052 0.0854 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0086 0.1778 0.5
Echinococcus multilocularis jumonji domain containing protein 0.0047 0.0702 0.0702
Schistosoma mansoni myelin transcription factor 1 myt1 0.0059 0.105 0.105
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0086 0.1778 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.2183 0.2183
Echinococcus multilocularis PHD finger protein rhinoceros 0.0034 0.0346 0.0346
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.048 0.1553
Echinococcus granulosus PHD finger protein rhinoceros 0.0034 0.0346 0.0346
Schistosoma mansoni hypothetical protein 0.0034 0.0346 0.0346
Plasmodium falciparum phd finger protein, putative 0.0034 0.0346 0.1947
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0114 0.253 0.253
Echinococcus multilocularis polycomb protein SCMH1 0.0052 0.0854 0.0854

Activities

No activities found for this compound.

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.