Detailed information for compound 1375305

Basic information

Technical information
  • TDR Targets ID: 1375305
  • Name: N-butyl-N-[2,5-dioxo-1-(4-propoxyphenyl)pyrro lidin-3-yl]acetamide
  • MW: 346.421 | Formula: C19H26N2O4
  • H donors: 0 H acceptors: 3 LogP: 2.45 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN(C1CC(=O)N(C1=O)c1ccc(cc1)OCCC)C(=O)C
  • InChi: 1S/C19H26N2O4/c1-4-6-11-20(14(3)22)17-13-18(23)21(19(17)24)15-7-9-16(10-8-15)25-12-5-2/h7-10,17H,4-6,11-13H2,1-3H3
  • InChiKey: ODPAZIIQONOQMX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-butyl-N-[2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl]acetamide
  • N-butyl-N-[2,5-diketo-1-(4-propoxyphenyl)pyrrolidin-3-yl]acetamide
  • N-butyl-N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]ethanamide
  • MLS001047177
  • STOCK2S-93116
  • N-Butyl-N-[2,5-dioxo-1-(4-propoxy-phenyl)-pyrrolidin-3-yl]-acetamide
  • SMR000427549

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
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0025 0.406
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.003 0.0076
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.8649 1 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.3377 0.3897 0.3889
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.8649 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3377 0.3897 1
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.8649 1 1
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.8649 1 1
Plasmodium falciparum dihydroorotate dehydrogenase 0.8649 1 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.8649 1 1
Trypanosoma brucei cytochrome P450, putative 0.0032 0.0025 0.0011
Echinococcus granulosus cytochrome P450 2K1 0.0023 0.0014 0.0037
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.0025 0.0011
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.3377 0.3897 1
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.0025 0.0011
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.3377 0.3897 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3377 0.3897 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.003 0.0076
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.8649 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0032 0.0025 0.0011
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0025 0.406
Leishmania major cytochrome p450-like protein 0.0032 0.0025 0.0011
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.8649 1 1
Echinococcus multilocularis 0.0023 0.0014 0.0037
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.8649 1 1
Brugia malayi Cytochrome P450 family protein 0.0032 0.0025 0.0025
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3377 0.3897 1
Leishmania major dihydroorotate dehydrogenase 0.8649 1 1
Schistosoma mansoni cytochrome P450 0.0023 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0031 0.0024 0.3835
Loa Loa (eye worm) cytochrome P450 0.0023 0.0014 0.229
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.3377 0.3897 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.003 0.003
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3377 0.3897 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0065 0.0063 1
Schistosoma mansoni hypothetical protein 0.0023 0.0014 0.0014
Brugia malayi Cytochrome P450 family protein 0.0032 0.0025 0.0025
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.3377 0.3897 0.5
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.8649 1 1
Brugia malayi Cytochrome P450 family protein 0.0065 0.0063 0.0063
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0033 0.0033
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.8649 1 0.5
Brugia malayi Zinc finger, C2H2 type family protein 0.3377 0.3897 0.3897
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.3377 0.3897 1
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0033 0.0033
Brugia malayi Cytochrome P450 family protein 0.0023 0.0014 0.0014
Schistosoma mansoni dihydroorotate dehydrogenase 0.8649 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3377 0.3897 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.003 0.4711
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.3377 0.3897 1
Brugia malayi cytochrome P450 0.0023 0.0014 0.0014
Loa Loa (eye worm) CYP4Cod1 0.0032 0.0025 0.406
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.8649 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 67.508 uM PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response assay for inhibitors of the orphan nuclear receptor subfamily 0, group B, member 1 (DAX1; NR0B1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504766, AID504790] ChEMBL. No reference
IC50 (functional) > 67.508 uM PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the orphan nuclear receptor subfamily 0, group B, member 1 (DAX1; NR0B1): luminescence-based cell-based high throughput dose response assay to identify compounds that interfere with the UAS/Gal4 system and/or luciferase reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504766, AID504790] ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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