Detailed information for compound 1571965

Basic information

Technical information
  • TDR Targets ID: 1571965
  • Name: N-butan-2-yl-3-(4-methoxyphenyl)-3-pyrrol-1-y lpropanamide
  • MW: 300.395 | Formula: C18H24N2O2
  • H donors: 1 H acceptors: 1 LogP: 2.84 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(NC(=O)CC(n1cccc1)c1ccc(cc1)OC)C
  • InChi: 1S/C18H24N2O2/c1-4-14(2)19-18(21)13-17(20-11-5-6-12-20)15-7-9-16(22-3)10-8-15/h5-12,14,17H,4,13H2,1-3H3,(H,19,21)
  • InChiKey: YJEAZBJOTRXRQX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(4-methoxyphenyl)-3-pyrrol-1-yl-N-sec-butyl-propanamide
  • 3-(4-methoxyphenyl)-3-(1-pyrrolyl)-N-sec-butylpropanamide
  • 3-(4-methoxyphenyl)-3-pyrrol-1-yl-N-sec-butyl-propionamide
  • N-butan-2-yl-3-(4-methoxyphenyl)-3-pyrrol-1-yl-propanamide
  • ChemDiv3_011289
  • IDI1_028847
  • MLS000094097
  • N-(sec-butyl)-3-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)propanamide
  • SMR000029712

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0257 0.8284 0.8256
Loa Loa (eye worm) hypothetical protein 0.0257 0.8284 0.8256
Schistosoma mansoni hypothetical protein 0.0307 1 1
Schistosoma mansoni notch 0.0083 0.2294 0.2166
Schistosoma mansoni septate junction protein 0.0083 0.2294 0.2166
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0164 0.0198
Echinococcus granulosus neurogenic locus notch protein 0.0083 0.2294 0.2166
Schistosoma mansoni hypothetical protein 0.0083 0.2294 0.2166
Schistosoma mansoni notch 0.0083 0.2294 0.2166
Brugia malayi Furin-like cysteine rich region family protein 0.0145 0.4415 0.533
Leishmania major hypothetical protein, conserved 0.0025 0.031 1
Brugia malayi Calcium binding EGF domain containing protein 0.0083 0.2294 0.2769
Echinococcus granulosus delta-like protein 1 0.0083 0.2294 0.2166
Loa Loa (eye worm) hypothetical protein 0.0025 0.031 0.0149
Loa Loa (eye worm) animal heme peroxidase 0.0257 0.8284 0.8256
Schistosoma mansoni hypothetical protein 0.0083 0.2294 0.2166
Brugia malayi Cadherin domain containing protein 0.0083 0.2294 0.2769
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0046 0.1027 0.0877
Echinococcus multilocularis peroxidasin 0.0257 0.8284 0.8256
Brugia malayi Calcium binding EGF domain containing protein 0.0083 0.2294 0.2769
Brugia malayi Blistered cuticle protein 3 0.0257 0.8284 1
Plasmodium vivax importin-beta 2, putative 0.0029 0.0425 1
Echinococcus multilocularis fibropellin Ia 0.0083 0.2294 0.2166
Loa Loa (eye worm) hypothetical protein 0.0083 0.2294 0.2166
Echinococcus granulosus protein jagged 2 0.0083 0.2294 0.2166
Echinococcus granulosus neurogenic locus protein delta 0.0083 0.2294 0.2166
Brugia malayi GCC2 and GCC3 family protein 0.0083 0.2294 0.2769
Brugia malayi EGF-like domain containing protein 0.0083 0.2294 0.2769
Entamoeba histolytica hypothetical protein 0.0023 0.0238 0.1425
Entamoeba histolytica hypothetical protein 0.0036 0.0684 1
Brugia malayi EGF-like domain containing protein 0.0083 0.2294 0.2769
Brugia malayi Delta serrate ligand family protein 0.0083 0.2294 0.2769
Brugia malayi notch-like transmembrane receptor 0.0083 0.2294 0.2769
Onchocerca volvulus 0.0257 0.8284 1
Schistosoma mansoni hypothetical protein 0.0036 0.0684 0.0529
Schistosoma mansoni hypothetical protein 0.0083 0.2294 0.2166
Loa Loa (eye worm) hypothetical protein 0.0083 0.2294 0.2166
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0425 0.1226
Echinococcus granulosus peroxidasin 0.0257 0.8284 0.8256
Schistosoma mansoni importin beta-1 0.0029 0.0425 0.0266
Loa Loa (eye worm) hypothetical protein 0.0083 0.2294 0.2166
Loa Loa (eye worm) notch protein 0.0083 0.2294 0.2166
Brugia malayi Importin beta-1 subunit 0.0029 0.0425 0.0513
Schistosoma mansoni tyrosine kinase 0.0077 0.2083 0.1951
Echinococcus multilocularis neurogenic locus notch protein 0.0083 0.2294 0.2166
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0684 0.0529
Echinococcus multilocularis fat cadherin tumor suppressor 0.0083 0.2294 0.2166
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0307 1 1
Schistosoma mansoni notch 0.0083 0.2294 0.2166
Brugia malayi hypothetical protein 0.0036 0.0684 0.0825
Brugia malayi Calcium binding EGF domain containing protein 0.0083 0.2294 0.2769
Loa Loa (eye worm) hypothetical protein 0.0083 0.2294 0.2166
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.2592 0.2469
Echinococcus granulosus insulin receptor 0.0046 0.1027 0.0877
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0425 1
Loa Loa (eye worm) animal heme peroxidase 0.0257 0.8284 0.8256
Entamoeba histolytica hypothetical protein 0.0036 0.0684 1
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0425 0.0266
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.031 1
Onchocerca volvulus Peroxidase homolog 0.0257 0.8284 1
Onchocerca volvulus Peroxidase homolog 0.0257 0.8284 1
Schistosoma mansoni hypothetical protein 0.0083 0.2294 0.2166
Schistosoma mansoni hypothetical protein 0.0083 0.2294 0.2166
Echinococcus granulosus protein jagged 1 0.0083 0.2294 0.2166
Schistosoma mansoni notch 0.0083 0.2294 0.2166
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.2592 0.3129
Schistosoma mansoni notch 0.0083 0.2294 0.2166
Echinococcus multilocularis protein jagged 1 0.0083 0.2294 0.2166
Loa Loa (eye worm) hypothetical protein 0.0083 0.2294 0.2166
Loa Loa (eye worm) hypothetical protein 0.0083 0.2294 0.2166
Echinococcus multilocularis protein jagged 2 0.0083 0.2294 0.2166
Loa Loa (eye worm) hypothetical protein 0.0257 0.8284 0.8256
Brugia malayi Animal haem peroxidase family protein 0.0257 0.8284 1
Loa Loa (eye worm) hypothetical protein 0.0257 0.8284 0.8256
Onchocerca volvulus Peroxidasin homolog 0.0257 0.8284 1
Brugia malayi Animal haem peroxidase family protein 0.0257 0.8284 1
Brugia malayi Animal haem peroxidase family protein 0.0257 0.8284 1
Brugia malayi Cadherin domain containing protein 0.0083 0.2294 0.2769
Leishmania major importin beta-1 subunit, putative 0.0023 0.0238 0.5068
Brugia malayi Protein kinase domain containing protein 0.0046 0.1027 0.1239
Schistosoma mansoni slit 0.0083 0.2294 0.2166
Onchocerca volvulus Dual oxidase homolog 0.0257 0.8284 1
Loa Loa (eye worm) TK/INSR protein kinase 0.0046 0.1027 0.0877
Echinococcus multilocularis epidermal growth factor receptor 0.0078 0.2111 0.198
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.031 0.5597
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.031 0.5597
Entamoeba histolytica hypothetical protein 0.0036 0.0684 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.2294 0.2166
Loa Loa (eye worm) hypothetical protein 0.0083 0.2294 0.2166
Schistosoma mansoni notch 0.0083 0.2294 0.2166
Loa Loa (eye worm) hypothetical protein 0.0257 0.8284 0.8256
Echinococcus granulosus neural cadherin 0.0083 0.2294 0.2166
Loa Loa (eye worm) hypothetical protein 0.0083 0.2294 0.2166
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.031 0.5597
Echinococcus granulosus notch 0.0083 0.2294 0.2166
Brugia malayi MH2 domain containing protein 0.0144 0.4395 0.5306
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0238 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.2592 0.2469
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0078 0.2111 0.198
Schistosoma mansoni peroxidasin 0.0257 0.8284 0.8256
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.031 1
Brugia malayi EGF-like domain containing protein 0.0083 0.2294 0.2769
Schistosoma mansoni tyrosine kinase 0.0046 0.1027 0.0877
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.031 0.0686
Giardia lamblia High cysteine protein 0.0083 0.2294 1
Brugia malayi Animal haem peroxidase family protein 0.0257 0.8284 1
Brugia malayi Peroxidasin 0.0257 0.8284 1
Echinococcus multilocularis insulin receptor 0.0046 0.1027 0.0877
Loa Loa (eye worm) hypothetical protein 0.0257 0.8284 0.8256
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0238 1
Brugia malayi hypothetical protein 0.0257 0.8284 1
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0238 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.2592 0.2469
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.2592 0.2469
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0684 0.0529
Schistosoma mansoni tyrosine kinase 0.0078 0.2111 0.198
Toxoplasma gondii EGF family domain-containing protein 0.0083 0.2294 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.2294 0.2166
Loa Loa (eye worm) hypothetical protein 0.0083 0.2294 0.2166
Onchocerca volvulus 0.0257 0.8284 1
Brugia malayi EGF-like domain containing protein 0.0083 0.2294 0.2769
Brugia malayi EGF-like domain containing protein 0.0083 0.2294 0.2769
Loa Loa (eye worm) animal heme peroxidase 0.0257 0.8284 0.8256
Echinococcus multilocularis neurogenic locus notch protein 0.0083 0.2294 0.2166
Loa Loa (eye worm) hypothetical protein 0.0083 0.2294 0.2166
Loa Loa (eye worm) hypothetical protein 0.0083 0.2294 0.2166
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0684 0.0529
Schistosoma mansoni tyrosine kinase 0.0046 0.1027 0.0877
Schistosoma mansoni hypothetical protein 0.0083 0.2294 0.2166
Echinococcus granulosus neurogenic locus notch protein 4 0.0083 0.2294 0.2166
Echinococcus multilocularis protein jagged 1 0.0083 0.2294 0.2166
Loa Loa (eye worm) hypothetical protein 0.0083 0.2294 0.2166
Loa Loa (eye worm) hypothetical protein 0.0083 0.2294 0.2166
Brugia malayi EGF-like domain containing protein 0.0083 0.2294 0.2769
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0425 1
Schistosoma mansoni cell polarity protein 0.0083 0.2294 0.2166
Echinococcus granulosus slit 2 protein 0.0083 0.2294 0.2166
Brugia malayi hypothetical protein 0.0025 0.031 0.0374
Loa Loa (eye worm) hypothetical protein 0.0029 0.0425 0.0266
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4395 0.4302
Echinococcus multilocularis slit 2 protein 0.0083 0.2294 0.2166
Loa Loa (eye worm) hypothetical protein 0.0257 0.8284 0.8256
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0083 0.2294 0.2166
Schistosoma mansoni tyrosine kinase 0.0078 0.2111 0.198
Schistosoma mansoni tyrosine kinase 0.0077 0.2083 0.1951
Onchocerca volvulus Chorion peroxidase homolog 0.0257 0.8284 1
Loa Loa (eye worm) hypothetical protein 0.0257 0.8284 0.8256
Loa Loa (eye worm) hypothetical protein 0.0257 0.8284 0.8256
Schistosoma mansoni tyrosine kinase 0.0145 0.4415 0.4322
Loa Loa (eye worm) hypothetical protein 0.0083 0.2294 0.2166
Loa Loa (eye worm) hypothetical protein 0.0083 0.2294 0.2166
Onchocerca volvulus 0.0257 0.8284 1
Schistosoma mansoni hypothetical protein 0.0083 0.2294 0.2166
Loa Loa (eye worm) hypothetical protein 0.0083 0.2294 0.2166
Loa Loa (eye worm) hypothetical protein 0.0083 0.2294 0.2166
Echinococcus multilocularis neurogenic locus protein delta 0.0083 0.2294 0.2166
Echinococcus multilocularis notch 0.0083 0.2294 0.2166
Echinococcus granulosus epidermal growth factor receptor 0.0145 0.4415 0.4322
Echinococcus granulosus importin subunit beta 1 0.0029 0.0425 0.0266
Echinococcus multilocularis neurogenic locus notch protein 4 0.0083 0.2294 0.2166
Schistosoma mansoni peroxidasin 0.0257 0.8284 0.8256
Brugia malayi Animal haem peroxidase family protein 0.0257 0.8284 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.2592 0.2469
Echinococcus granulosus fibropellin Ia 0.0083 0.2294 0.2166
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0238 0.5068
Loa Loa (eye worm) hypothetical protein 0.0257 0.8284 0.8256
Brugia malayi Muscle positioning protein 4 0.0083 0.2294 0.2769
Schistosoma mansoni tyrosine kinase 0.0077 0.2083 0.1951
Loa Loa (eye worm) hypothetical protein 0.0257 0.8284 0.8256
Loa Loa (eye worm) Notch2 0.0083 0.2294 0.2166
Brugia malayi EGF-like domain containing protein 0.0083 0.2294 0.2769
Schistosoma mansoni laminin gamma-3 chain 0.0083 0.2294 0.2166
Echinococcus multilocularis epidermal growth factor receptor 0.0145 0.4415 0.4322
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0083 0.2294 0.2769
Echinococcus granulosus epidermal growth factor receptor 0.0078 0.2111 0.198
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.2592 0.2469
Loa Loa (eye worm) hypothetical protein 0.0257 0.8284 0.8256
Loa Loa (eye worm) animal heme peroxidase 0.0257 0.8284 0.8256
Echinococcus multilocularis 0.0045 0.0977 0.0827
Loa Loa (eye worm) hypothetical protein 0.0083 0.2294 0.2166
Echinococcus multilocularis neurogenic locus protein delta 0.0083 0.2294 0.2166
Loa Loa (eye worm) hypothetical protein 0.0257 0.8284 0.8256
Entamoeba histolytica hypothetical protein 0.0036 0.0684 1
Plasmodium falciparum importin beta, putative 0.0029 0.0425 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.2294 0.2166
Loa Loa (eye worm) hypothetical protein 0.0257 0.8284 0.8256
Echinococcus granulosus protein jagged 1 0.0083 0.2294 0.2166
Loa Loa (eye worm) TK/EGFR protein kinase 0.0145 0.4415 0.4322
Echinococcus multilocularis neural cadherin 0.0083 0.2294 0.2166
Echinococcus granulosus neurogenic locus notch protein 0.0083 0.2294 0.2166
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.031 0.5597
Echinococcus granulosus protein jagged 2 0.0083 0.2294 0.2166
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4395 0.4302
Loa Loa (eye worm) hypothetical protein 0.0083 0.2294 0.2166
Brugia malayi RNA, U transporter 1 0.0082 0.225 0.2715
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0046 0.1027 0.0877
Echinococcus multilocularis snurportin 1 0.0307 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.2592 0.2469
Onchocerca volvulus Peroxidasin homolog 0.0257 0.8284 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0257 0.8284 0.8256
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.2592 0.2469

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference

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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