Detailed information for compound 845646

Basic information

Technical information
  • TDR Targets ID: 845646
  • Name: N-[(2-ethoxyphenyl)methyl]-1-phenyl-5-pyrrol- 1-ylpyrazole-4-carboxamide
  • MW: 386.446 | Formula: C23H22N4O2
  • H donors: 1 H acceptors: 2 LogP: 3.73 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1CNC(=O)c1cnn(c1n1cccc1)c1ccccc1
  • InChi: 1S/C23H22N4O2/c1-2-29-21-13-7-6-10-18(21)16-24-22(28)20-17-25-27(19-11-4-3-5-12-19)23(20)26-14-8-9-15-26/h3-15,17H,2,16H2,1H3,(H,24,28)
  • InChiKey: GXCVVGIYWPGFJR-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(2-ethoxyphenyl)methyl]-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carboxamide
  • N-[(2-ethoxyphenyl)methyl]-1-phenyl-5-(1-pyrrolyl)-4-pyrazolecarboxamide
  • N-(2-ethoxybenzyl)-1-phenyl-5-pyrrol-1-yl-pyrazole-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
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.8854 1
Loa Loa (eye worm) hypothetical protein 0.001 0.1054 0.1184
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0839 0.0913
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.1054 0.1184
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.8052 1
Echinococcus multilocularis cpg binding protein 0.0031 0.4619 0.8474
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.0215 0.0189
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.4331 0.5313
Schistosoma mansoni nuclear hormone receptor 0.001 0.1054 0.1054
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.0215 0.0189
Onchocerca volvulus 0.001 0.1054 0.2229
Echinococcus multilocularis GPCR, family 2 0.0016 0.2052 0.3645
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.1054 0.2229
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.1054 0.1054
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.0215 0.0215
Echinococcus granulosus transcription factor btf3 0.0035 0.5431 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.4331 0.5313
Loa Loa (eye worm) hypothetical protein 0.001 0.1054 0.1184
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.1054 0.1184
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.1054 0.1184
Loa Loa (eye worm) hypothetical protein 0.001 0.1054 0.1184
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.1054 0.1768
Plasmodium vivax basic transcription factor 3b, putative 0.0035 0.5431 0.5
Plasmodium falciparum basic transcription factor 3b, putative 0.0035 0.5431 0.5
Brugia malayi Latrophilin receptor protein 2 0.0016 0.2052 0.2441
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.1054 0.1184
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0531 0.0784
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0819 0.0888
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.0005 0.0215 0.0127
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.5275 0.6501
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.1054 0.1768
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.2052 0.3645
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0215 0.0215
Entamoeba histolytica hypothetical protein 0.0035 0.5431 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.1054 0.1184
Echinococcus granulosus GPCR family 2 0.0016 0.2052 0.3645
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0114 0.0114
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.1054 0.1054
Entamoeba histolytica transcription factor BTF3, putative 0.0035 0.5431 0.5
Brugia malayi nuclear receptor NHR-88 0.001 0.1054 0.1184
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.2052 0.3645
Schistosoma mansoni hypothetical protein 0.0016 0.2052 0.2052
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.1054 0.1184
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0215 0.0127
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.1054 0.1768
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.5431 0.5
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.5431 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.0215 0.0127
Echinococcus granulosus cpg binding protein 0.0031 0.4619 0.8474
Loa Loa (eye worm) hypothetical protein 0.0034 0.5275 0.6501
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.5431 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.1054 0.1184
Onchocerca volvulus 0.0029 0.4331 1
Schistosoma mansoni transcription factor btf3 0.0035 0.5431 0.5431
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.1054 0.1184
Brugia malayi nuclear hormone receptor 0.001 0.1054 0.1184
Loa Loa (eye worm) hypothetical protein 0.001 0.1054 0.1184
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0531 0.0784
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.1054 0.1184
Loa Loa (eye worm) hypothetical protein 0.001 0.1054 0.1184
Loa Loa (eye worm) ICD-1 protein 0.0035 0.5431 0.6698
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.1054 0.1768
Schistosoma mansoni hypothetical protein 0.0016 0.2052 0.2052
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.1054 0.1768
Brugia malayi hypothetical protein 0.0005 0.0215 0.0127
Brugia malayi nuclear receptor RXR 0.0005 0.0215 0.0127
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.1054 0.1768
Brugia malayi ecdysteroid receptor 0.001 0.1054 0.1184
Trypanosoma brucei transcription factor BTF3, putative 0.0035 0.5431 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.1054 0.1184
Onchocerca volvulus Bile acid receptor homolog 0.001 0.1054 0.2229
Schistosoma mansoni thyroid hormone receptor 0.001 0.1054 0.1054
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.2052 0.2441
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0839 0.1364
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.1054 0.1184
Loa Loa (eye worm) hypothetical protein 0.0005 0.0215 0.0127
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.1054 0.1184
Loa Loa (eye worm) hypothetical protein 0.0005 0.0215 0.0127
Brugia malayi hypothetical protein 0.0005 0.0215 0.0127
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.5431 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0531 0.0784
Brugia malayi steroid hormone receptor 0.001 0.1054 0.1184
Echinococcus multilocularis transcription factor btf3 0.0035 0.5431 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.1054 0.1768
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.8052 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.1054 0.1184
Schistosoma mansoni zinc finger protein 0.0005 0.0114 0.0114
Loa Loa (eye worm) steroid hormone receptor 0.001 0.1054 0.1184
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.1054 0.1768
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.1054 0.1768
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.2052 0.2441
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.5431 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0531 0.0531
Loa Loa (eye worm) hypothetical protein 0.005 0.8052 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.8052 1
Brugia malayi Steroid receptor seven-up type 2 0.001 0.1054 0.1184
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.1054 0.2229
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.1054 0.1054
Echinococcus multilocularis FTZ F1 alpha 0.001 0.1054 0.1768
Schistosoma mansoni cpg binding protein 0.0031 0.4619 0.4619
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.2052 0.3645
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.2052 0.3645
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.1054 0.1054
Schistosoma mansoni hypothetical protein 0.0034 0.5275 0.5275
Schistosoma mansoni hypothetical protein 0.0016 0.2052 0.2052
Schistosoma mansoni nuclear receptor 0.0005 0.0114 0.0114
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.1054 0.1768
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.1054 0.1054
Schistosoma mansoni coup transcription factor 0.001 0.1054 0.1054
Leishmania major basic transcription factor 3a, putative 0.0035 0.5431 0.5
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.0215 0.0127
Echinococcus granulosus FTZ F1 alpha 0.001 0.1054 0.1768
Schistosoma mansoni nuclear receptor nhr-48 0.0005 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.001 0.1054 0.1184
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.1054 0.1768
Loa Loa (eye worm) hypothetical protein 0.001 0.1054 0.1184
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0215 0.0127
Schistosoma mansoni nuclear receptor 0.0005 0.0114 0.0114
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.1054 0.1184
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.1054 0.1768
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.1054 0.1768
Schistosoma mansoni thyroid hormone receptor 0.001 0.1054 0.1054
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.1054 0.1054
Loa Loa (eye worm) hypothetical protein 0.001 0.1054 0.1184
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0839 0.1364
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.1054 0.1054
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0005 0.0114 0.0114
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0531 0.0784
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.1054 0.1768
Brugia malayi beta-NAC-like protein 0.0035 0.5431 0.6698
Schistosoma mansoni cpg binding protein 0.0029 0.4331 0.4331
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.1054 0.1184
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.1054 0.1768
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.1054 0.1184
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.1054 0.1054
Schistosoma mansoni cpg binding protein 0.0031 0.4619 0.4619
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.1054 0.1184
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.1054 0.1184
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.1054 0.1768
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.1054 0.1184
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.1054 0.1054
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0005 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.0016 0.2052 0.2441
Schistosoma mansoni hypothetical protein 0.0016 0.2052 0.2052
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.1054 0.1184
Loa Loa (eye worm) hypothetical protein 0.0005 0.0215 0.0127
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.1054 0.1184
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.1054 0.1184

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.