Detailed information for compound 1845043

Basic information

Technical information
  • TDR Targets ID: 1845043
  • Name: N-acetyl-5-tert-butyl-N-[2-[4-(2-ethoxyethyl) -2-methylphenoxy]ethyl]-2-methylpyrazole-3-ca rboxamide
  • MW: 429.552 | Formula: C24H35N3O4
  • H donors: 0 H acceptors: 3 LogP: 4.03 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOCCc1ccc(c(c1)C)OCCN(C(=O)c1cc(nn1C)C(C)(C)C)C(=O)C
  • InChi: 1S/C24H35N3O4/c1-8-30-13-11-19-9-10-21(17(2)15-19)31-14-12-27(18(3)28)23(29)20-16-22(24(4,5)6)25-26(20)7/h9-10,15-16H,8,11-14H2,1-7H3
  • InChiKey: FUJWEVBPXRNTRO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-acetyl-5-tert-butyl-N-[2-[4-(2-ethoxyethyl)-2-methyl-phenoxy]ethyl]-2-methyl-pyrazole-3-carboxamide
  • N-acetyl-5-tert-butyl-N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-2-methyl-3-pyrazolecarboxamide
  • 5-tert-butyl-N-ethanoyl-N-[2-[4-(2-ethoxyethyl)-2-methyl-phenoxy]ethyl]-2-methyl-pyrazole-3-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
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.1462 0.3345 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.052 0.0708 0.1676
Toxoplasma gondii pyruvate carboxylase 0.1462 0.3345 0.3226
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.1462 0.3345 1
Schistosoma mansoni P2X receptor subunit 0.1604 0.3741 0.3629
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1462 0.3345 0.5531
Schistosoma mansoni P2X receptor subunit 0.1604 0.3741 0.3629
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.052 0.0708 0.0708
Leishmania major acetyl-CoA carboxylase, putative 0.3839 1 1
Schistosoma mansoni pyruvate carboxylase 0.1462 0.3345 0.3226
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.052 0.0708 0.0927
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.052 0.0708 0.1676
Echinococcus granulosus p2X purinoceptor 4 0.1604 0.3741 0.3741
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.2778 0.703 1
Schistosoma mansoni acetyl-CoA carboxylase 0.3839 1 1
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.052 0.0708 0.0541
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1462 0.3345 0.3226
Chlamydia trachomatis biotin carboxylase 0.1328 0.2969 1
Mycobacterium ulcerans pyruvate carboxylase 0.1462 0.3345 1
Schistosoma mansoni P2X receptor subunit 0.1604 0.3741 0.3629
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.3839 1 1
Echinococcus granulosus p2X purinoceptor 4 0.1604 0.3741 0.3741
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1462 0.3345 0.3226
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.1462 0.3345 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.1462 0.3345 1
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.1462 0.3345 0.3345
Echinococcus multilocularis p2X purinoceptor 4 0.1604 0.3741 0.3741
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1462 0.3345 0.3226
Leishmania major propionyl-coa carboxylase beta chain, putative 0.052 0.0708 0.0708
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.052 0.0708 0.0541
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.052 0.0708 0.0541
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.1462 0.3345 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.052 0.0708 0.1676
Leishmania major carbamoyl-phosphate synthase, putative 0.033 0.0177 0.0177
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.3704 0.9624 0.5
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.052 0.0708 0.1676
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.1462 0.3345 0.3345
Echinococcus multilocularis p2X purinoceptor 4 0.1604 0.3741 0.3741
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.052 0.0708 0.1676
Echinococcus multilocularis p2X purinoceptor 4 0.1604 0.3741 0.3741
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1462 0.3345 0.3226
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.052 0.0708 0.1676
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.1462 0.3345 1
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.1462 0.3345 0.3345
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.052 0.0708 0.0927
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0655 0.1084 0.5
Brugia malayi Carboxyl transferase domain containing protein 0.3704 0.9624 0.5
Echinococcus granulosus p2X purinoceptor 4 0.1604 0.3741 0.3741
Leishmania major carboxylase, putative 0.1462 0.3345 0.3345
Trypanosoma cruzi acetyl-CoA carboxylase 0.2376 0.5906 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.1462 0.3345 1
Trypanosoma brucei unspecified product 0.0961 0.1943 0.1798
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.3839 1 1
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.052 0.0708 0.0927
Schistosoma mansoni P2X receptor subunit 0.1604 0.3741 0.3629
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0655 0.1084 0.5
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.3839 1 1
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.052 0.0708 0.0708
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.2778 0.703 1
Trypanosoma brucei acetyl-CoA carboxylase 0.3839 1 1
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.052 0.0708 0.1676
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.052 0.0708 0.0708
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1462 0.3345 0.5531

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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