Detailed information for compound 1427267

Basic information

Technical information
  • TDR Targets ID: 1427267
  • Name: 4-acetyl-N-[2-(4-methoxyphenyl)-2-morpholin-4 -ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxami de
  • MW: 399.483 | Formula: C22H29N3O4
  • H donors: 2 H acceptors: 2 LogP: 1.93 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(N1CCOCC1)CNC(=O)c1[nH]c(c(c1C)C(=O)C)C
  • InChi: 1S/C22H29N3O4/c1-14-20(16(3)26)15(2)24-21(14)22(27)23-13-19(25-9-11-29-12-10-25)17-5-7-18(28-4)8-6-17/h5-8,19,24H,9-13H2,1-4H3,(H,23,27)
  • InChiKey: VYPGRZKTMIUBCH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-acetyl-N-[2-(4-methoxyphenyl)-2-morpholino-ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
  • 4-acetyl-N-[2-(4-methoxyphenyl)-2-morpholinoethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
  • 4-ethanoyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-yl-ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
  • T5531153

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 ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.4744 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.4208 0.4208
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.4744 0.133
Loa Loa (eye worm) hypothetical protein 0.0049 0.4208 0.0446
Toxoplasma gondii isocitrate dehydrogenase 0.0048 0.3938 0.3938
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.4208 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0079 1 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0079 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.0049 0.4208 1
Leishmania major hypothetical protein, conserved 0.0049 0.4208 1
Plasmodium vivax ataxin-2 like protein, putative 0.0049 0.4208 0.4208
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.4744 0.4744
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 1 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0048 0.3938 0.3938
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.4744 0.133
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 1 0.5
Brugia malayi isocitrate dehydrogenase 0.0048 0.3938 0.3372
Brugia malayi hypothetical protein 0.0049 0.4208 0.3667
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0079 1 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.4208 1
Brugia malayi Isocitrate dehydrogenase 0.0048 0.3938 0.3372
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0048 0.3938 0.3938
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 1 0.5
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.0049 0.4208 0.4208
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.4208 0.4208
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 1 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.4744 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0048 0.3938 0.3938
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.8584 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) 13.1154 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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