Detailed information for compound 1838320

Basic information

Technical information
  • TDR Targets ID: 1838320
  • Name: (2-methoxy-4-methylphenyl) 1-[2-(6-methoxynap hthalen-2-yl)propanoyl]pyrrolidine-2-carboxyl ate
  • MW: 447.523 | Formula: C27H29NO5
  • H donors: 0 H acceptors: 2 LogP: 5.45 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(C)ccc1OC(=O)C1CCCN1C(=O)C(c1ccc2c(c1)ccc(c2)OC)C
  • InChi: 1S/C27H29NO5/c1-17-7-12-24(25(14-17)32-4)33-27(30)23-6-5-13-28(23)26(29)18(2)19-8-9-21-16-22(31-3)11-10-20(21)15-19/h7-12,14-16,18,23H,5-6,13H2,1-4H3
  • InChiKey: ZXNKZXZGCWLQNO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2-methoxy-4-methyl-phenyl) 1-[2-(6-methoxy-2-naphthyl)propanoyl]pyrrolidine-2-carboxylate
  • 1-[2-(6-methoxy-2-naphthyl)-1-oxopropyl]-2-pyrrolidinecarboxylic acid (2-methoxy-4-methylphenyl) ester
  • 1-[2-(6-methoxy-2-naphthyl)propanoyl]pyrrolidine-2-carboxylic acid (2-methoxy-4-methyl-phenyl) ester
  • (2-methoxy-4-methyl-phenyl) 1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylate

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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0185 0.0286
Schistosoma mansoni tar DNA-binding protein 0.0219 0.233 0.2701
Plasmodium vivax thioredoxin reductase, putative 0.0054 0.0533 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.0498 0.5354 0.5333
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0137 0.1437 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0054 0.0533 0.2985
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0185 1
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0185 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0045 0.0194
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0123 0.1287 0.8837
Plasmodium falciparum thioredoxin reductase 0.0054 0.0533 1
Brugia malayi MH1 domain containing protein 0.0009 0.0045 0.0194
Schistosoma mansoni tar DNA-binding protein 0.0219 0.233 0.2701
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0148 0.0121
Loa Loa (eye worm) glutathione reductase 0.0054 0.0533 0.2287
Brugia malayi MH2 domain containing protein 0.0009 0.0045 0.0194
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0219 0.233 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0137 0.1437 1
Schistosoma mansoni serine/threonine protein kinase 0.0498 0.5357 0.6281
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0185 0.0959
Echinococcus multilocularis thioredoxin glutathione reductase 0.0054 0.0533 0.049
Brugia malayi glutathione reductase 0.0054 0.0533 0.2287
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0123 0.1287 0.8837
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.0498 0.5354 0.6278
Brugia malayi MH2 domain containing protein 0.0137 0.143 0.614
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0123 0.1287 0.8837
Echinococcus multilocularis microtubule associated protein 2 0.0787 0.8502 0.8495
Leishmania major trypanothione reductase 0.0054 0.0533 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0148 0.0635
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0185 0.014
Toxoplasma gondii exonuclease III APE 0.0022 0.0185 0.0959
Brugia malayi MH2 domain containing protein 0.0009 0.0045 0.0194
Mycobacterium tuberculosis Probable dehydrogenase 0.0123 0.1287 0.8837
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0148 0.0103
Echinococcus granulosus microtubule associated protein 2 0.0787 0.8502 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0185 0.0959
Entamoeba histolytica protein kinase, putative 0.0498 0.5357 1
Echinococcus granulosus serine:threonine protein kinase Chk2 0.0498 0.5357 0.6281
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0185 1
Schistosoma mansoni tar DNA-binding protein 0.0219 0.233 0.2701
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0137 0.1437 1
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.0498 0.5357 0.5336
Brugia malayi TAR-binding protein 0.0219 0.233 1
Plasmodium vivax glutathione reductase, putative 0.0054 0.0533 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0137 0.1437 1
Brugia malayi RNA binding protein 0.0219 0.233 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0014 0.0094 0.0403
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.0185 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0123 0.1287 0.8837
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0185 0.0959
Mycobacterium tuberculosis Probable reductase 0.0123 0.1287 0.8837
Brugia malayi Smad1 0.0009 0.0045 0.0194
Loa Loa (eye worm) RNA binding protein 0.0219 0.233 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.143 0.614
Loa Loa (eye worm) Smad1 0.0009 0.0045 0.0194
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0185 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0148 0.0121
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.0148 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0054 0.0533 1
Loa Loa (eye worm) TAR-binding protein 0.0219 0.233 1
Echinococcus multilocularis tar DNA binding protein 0.0219 0.233 0.2295
Toxoplasma gondii thioredoxin reductase 0.0054 0.0533 1
Schistosoma mansoni ap endonuclease 0.0022 0.0185 0.0165
Schistosoma mansoni tar DNA-binding protein 0.0219 0.233 0.2701
Trypanosoma brucei trypanothione reductase 0.0054 0.0533 1
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0185 0.0794
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0045 0.0194
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0185 0.0794
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0185 0.0165
Echinococcus granulosus thioredoxin glutathione reductase 0.0054 0.0533 0.0576
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.143 0.614
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0014 0.0094 0.0403
Brugia malayi Thioredoxin reductase 0.0054 0.0533 0.2287
Echinococcus granulosus tar DNA binding protein 0.0219 0.233 0.2701
Schistosoma mansoni tar DNA-binding protein 0.0219 0.233 0.2701
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0185 0.0959
Schistosoma mansoni microtubule-associated protein tau 0.0787 0.8502 1
Plasmodium falciparum glutathione reductase 0.0054 0.0533 1
Brugia malayi MH1 domain containing protein 0.0009 0.0045 0.0194
Entamoeba histolytica protein kinase, putative 0.0498 0.5357 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0185 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0185 0.0959
Loa Loa (eye worm) thioredoxin reductase 0.0054 0.0533 0.2287
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0185 0.0959
Brugia malayi RNA recognition motif domain containing protein 0.0219 0.233 1
Schistosoma mansoni ap endonuclease 0.0022 0.0185 0.0165

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) Inhibition of Homo sapiens (human) recombinant cyclooxygenase-2 assessed as formation of PGF2a at 200 uM by enzyme immunoassay ChEMBL. No reference
Inhibition (binding) = 16 % Inhibition of Ovis aries (sheep) COX1 assessed as formation of PGF2a at 200 uM by enzyme immunoassay 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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