Detailed information for compound 1469500

Basic information

Technical information
  • TDR Targets ID: 1469500
  • Name: ethyl 5-[2-(4-ethylpiperazin-1-yl)acetyl]-2,4 -dimethyl-1H-pyrrole-3-carboxylate
  • MW: 321.415 | Formula: C17H27N3O3
  • H donors: 1 H acceptors: 2 LogP: 1.96 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(C)[nH]c(c1C)C(=O)CN1CCN(CC1)CC
  • InChi: 1S/C17H27N3O3/c1-5-19-7-9-20(10-8-19)11-14(21)16-12(3)15(13(4)18-16)17(22)23-6-2/h18H,5-11H2,1-4H3
  • InChiKey: MFSHHGJNVSWBCF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[2-(4-ethyl-1-piperazinyl)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
  • 5-[2-(4-ethylpiperazin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
  • ethyl 5-[2-(4-ethylpiperazin-1-yl)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-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
Schistosoma mansoni nephrin 0.0029 0.0076 0.005
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0019 0.0026 0.5
Schistosoma mansoni vesicular amine transporter 0.0027 0.0064 0.0037
Entamoeba histolytica serine/threonine protein kinase, putative 0.2066 1 0.5
Leishmania major cytochrome p450-like protein 0.0028 0.0072 0.0046
Loa Loa (eye worm) hypothetical protein 0.003 0.008 0.008
Echinococcus granulosus roundabout 2 0.0033 0.0092 0.0066
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0019 0.0026 0.5
Trichomonas vaginalis CAMK family protein kinase 0.2066 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0181 0.0815 0.0791
Trichomonas vaginalis CAMK family protein kinase 0.2066 1 1
Echinococcus granulosus defective proboscis extension response 0.0027 0.0064 0.0037
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0028 0.0072 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.003 0.008 0.0053
Trypanosoma brucei polo-like protein kinase 0.2066 1 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0019 0.0026 0.5
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0019 0.0026 0.5
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0019 0.0026 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0019 0.0026 0.5
Echinococcus granulosus Immunoglobulin 0.0027 0.0064 0.0037
Schistosoma mansoni kinase 0.2008 0.9719 0.9718
Echinococcus granulosus twitchin 0.0037 0.0114 0.0088
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0019 0.0026 0.5
Onchocerca volvulus Tyrosine kinase homolog 0.0154 0.0682 0.0026
Schistosoma mansoni serine/threonine protein kinase 0.2066 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0027 0.0064 0.0037
Echinococcus multilocularis roundabout 2 0.0033 0.0092 0.0066
Trichomonas vaginalis CAMK family protein kinase 0.2066 1 1
Trichomonas vaginalis CAMK family protein kinase 0.2066 1 1
Trichomonas vaginalis CAMK family protein kinase 0.2066 1 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0019 0.0026 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0064 0.0064
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0019 0.0026 0.5
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.2066 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0072 0.0072
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0072 0.0046
Loa Loa (eye worm) hypothetical protein 0.0027 0.0064 0.0064
Onchocerca volvulus Serine\/threonine kinase homolog 0.2066 1 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0181 0.0815 0.0815
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0027 0.0064 0.0037
Schistosoma mansoni cell adhesion molecule 0.003 0.008 0.0053
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0019 0.0026 0.5
Trichomonas vaginalis CAMK family protein kinase 0.2066 1 1
Toxoplasma gondii cytochrome p450 superfamily protein 0.0019 0.0026 0.5
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0019 0.0026 0.5
Giardia lamblia Kinase, PLK 0.2066 1 0.5
Echinococcus multilocularis Immunoglobulin 0.0027 0.0064 0.0037
Loa Loa (eye worm) hypothetical protein 0.0033 0.0092 0.0092
Trypanosoma cruzi polo-like protein kinase, putative 0.2066 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0072 0.0046
Mycobacterium leprae putative cytochrome p450 0.0019 0.0026 0.5
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.0798 0.3824 0.3807
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0019 0.0026 0.5
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0019 0.0026 0.5
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0027 0.0064 0.0037
Brugia malayi hypothetical protein 0.0027 0.0064 0.0037
Echinococcus granulosus serine:threonine protein kinase PLK1 0.2066 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0064 0.0064
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0072 0.0072
Echinococcus multilocularis Immunoglobulin 0.0027 0.0064 0.0037
Brugia malayi Fibronectin type III domain containing protein 0.0027 0.0064 0.0037
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0019 0.0026 0.5
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0027 0.0064 0.0037
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.2066 1 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0019 0.0026 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0027 0.0064 0.0064
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0019 0.0026 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0092 0.0092
Echinococcus granulosus neuroglian 0.0029 0.0076 0.005
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0019 0.0026 0.5
Echinococcus multilocularis neuroglian 0.0029 0.0076 0.005
Loa Loa (eye worm) CYP4Cod1 0.0028 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.0027 0.0064 0.0064
Brugia malayi Cytochrome P450 family protein 0.0028 0.0072 0.0046
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0019 0.0026 0.5
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.0798 0.3824 0.3807
Trichomonas vaginalis CAMK family protein kinase 0.2066 1 1
Loa Loa (eye worm) cytochrome P450 0.0019 0.0026 0.0026
Mycobacterium leprae Conserved hypothetical protein 0.0019 0.0026 0.5
Trypanosoma brucei cytochrome P450, putative 0.0028 0.0072 0.0046
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.2066 1 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0019 0.0026 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.2066 1 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0019 0.0026 0.5
Brugia malayi Cytochrome P450 family protein 0.0028 0.0072 0.0046
Loa Loa (eye worm) cytochrome P450 family protein 0.006 0.0227 0.0227
Brugia malayi Cytochrome P450 family protein 0.006 0.0227 0.0201

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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