Detailed information for compound 830344

Basic information

Technical information
  • TDR Targets ID: 830344
  • Name: N-(4-methoxyphenyl)-1-(1-phenyl-5-pyrrol-1-yl pyrazole-4-carbonyl)piperidine-4-carboxamide
  • MW: 469.535 | Formula: C27H27N5O3
  • H donors: 1 H acceptors: 3 LogP: 3.38 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NC(=O)C1CCN(CC1)C(=O)c1cnn(c1n1cccc1)c1ccccc1
  • InChi: 1S/C27H27N5O3/c1-35-23-11-9-21(10-12-23)29-25(33)20-13-17-31(18-14-20)27(34)24-19-28-32(22-7-3-2-4-8-22)26(24)30-15-5-6-16-30/h2-12,15-16,19-20H,13-14,17-18H2,1H3,(H,29,33)
  • InChiKey: DEUGWNBKHUWMTA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-methoxyphenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-4-carboxamide
  • N-(4-methoxyphenyl)-1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidinecarboxamide
  • N-(4-methoxyphenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)isonipecotamide
  • N-(4-methoxyphenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide

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
Plasmodium vivax hypothetical protein, conserved 0.0397 0.0875 0.5
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0347 0.0659 0.0659
Mycobacterium tuberculosis Conserved protein 0.0397 0.0875 0.0875
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.0192 0 0.5
Loa Loa (eye worm) beta-lactamase 0.0397 0.0875 0.5
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0397 0.0875 0.0875
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0397 0.0875 0.0875
Mycobacterium ulcerans beta-lactamase 0.0397 0.0875 0.1581
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.051 0.1357 0.6086
Mycobacterium ulcerans hypothetical protein 0.0397 0.0875 0.1581
Trichomonas vaginalis conserved hypothetical protein 0.051 0.1357 1
Loa Loa (eye worm) hypothetical protein 0.0397 0.0875 0.5
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0715 0.223 0.223
Chlamydia trachomatis transglycolase/transpeptidase 0.0192 0 0.5
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0347 0.0659 0.2956
Onchocerca volvulus 0.0397 0.0875 0.5
Mycobacterium leprae conserved hypothetical protein 0.0397 0.0875 0.3922
Onchocerca volvulus 0.0397 0.0875 0.5
Toxoplasma gondii ABC1 family protein 0.0397 0.0875 0.5
Mycobacterium tuberculosis Probable lipase LipD 0.0397 0.0875 0.0875
Trypanosoma brucei beta lactamase 0.0715 0.223 1
Mycobacterium ulcerans lipase LipD 0.0397 0.0875 0.1581
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0397 0.0875 0.5
Brugia malayi beta-lactamase family protein 0.0397 0.0875 0.5
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0397 0.0875 0.0875
Trypanosoma cruzi hypothetical protein, conserved 0.0397 0.0875 0.5
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.051 0.1357 0.2453
Mycobacterium tuberculosis Probable hydrolase 0.0397 0.0875 0.0875
Treponema pallidum penicillin-binding protein (pbp-2) 0.051 0.1357 1
Onchocerca volvulus 0.0397 0.0875 0.5
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0347 0.0659 0.1192
Loa Loa (eye worm) hypothetical protein 0.0397 0.0875 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0397 0.0875 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0397 0.0875 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0397 0.0875 0.5
Loa Loa (eye worm) hypothetical protein 0.0397 0.0875 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0397 0.0875 0.5
Brugia malayi beta-lactamase family protein 0.0397 0.0875 0.5
Chlamydia trachomatis transglycolase/transpeptidase 0.0192 0 0.5
Mycobacterium tuberculosis Probable lipase LipE 0.0397 0.0875 0.0875
Trypanosoma cruzi hypothetical protein, conserved 0.0397 0.0875 0.5
Loa Loa (eye worm) hypothetical protein 0.0397 0.0875 0.5
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.149 0.5533 0.5533
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0397 0.0875 0.1581
Mycobacterium ulcerans multidrug-transport integral membrane protein Mmr 0.0197 0.0021 0.0039
Mycobacterium tuberculosis Probable esterase LipL 0.0397 0.0875 0.0875
Loa Loa (eye worm) hypothetical protein 0.0397 0.0875 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0397 0.0875 0.1581
Echinococcus multilocularis beta LACTamase domain containing family member 0.0397 0.0875 0.5
Mycobacterium ulcerans multidrugs-transport integral membrane protein Mmr-like 0.0782 0.2516 0.4548
Brugia malayi beta-lactamase 0.0397 0.0875 0.5
Mycobacterium tuberculosis Conserved protein 0.0397 0.0875 0.0875
Mycobacterium tuberculosis Conserved protein 0.0397 0.0875 0.0875
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.149 0.5533 1
Loa Loa (eye worm) hypothetical protein 0.0397 0.0875 0.5
Leishmania major hypothetical protein, conserved 0.0397 0.0875 0.5
Mycobacterium ulcerans lipoprotein LpqF 0.0715 0.223 0.4031
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0715 0.223 1
Mycobacterium leprae Probable lipase LipE 0.0397 0.0875 0.3922

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.

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