Detailed information for compound 1332901

Basic information

Technical information
  • TDR Targets ID: 1332901
  • Name: 1-cyclopentyl-3-[2-[2,5-dimethyl-1-(phenylmet hyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4 ,5-trione
  • MW: 407.462 | Formula: C23H25N3O4
  • H donors: 0 H acceptors: 4 LogP: 3.28 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C(=O)N(C(=O)N1CC(=O)c1cc(n(c1C)Cc1ccccc1)C)C1CCCC1
  • InChi: 1S/C23H25N3O4/c1-15-12-19(16(2)24(15)13-17-8-4-3-5-9-17)20(27)14-25-21(28)22(29)26(23(25)30)18-10-6-7-11-18/h3-5,8-9,12,18H,6-7,10-11,13-14H2,1-2H3
  • InChiKey: XVCSWTJMTMWNNC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-cyclopentyl-3-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxo-ethyl]imidazolidine-2,4,5-trione
  • 1-cyclopentyl-3-[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]imidazolidine-2,4,5-trione
  • 1-[2-[1-(benzyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]-3-cyclopentyl-imidazolidine-2,4,5-trione
  • ZINC05628701
  • T5347518
  • SR-01000759075-1

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) CMGC/GSK protein kinase 0.0055 0.0189 0.0189
Brugia malayi intracellular kinase 0.0055 0.0189 0.0189
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0052 0.0151 0.1281
Brugia malayi Immunoglobulin I-set domain containing protein 0.0056 0.0208 0.0208
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0367 0.3992 0.3992
Trypanosoma brucei protein kinase, putative 0.0055 0.0189 1
Onchocerca volvulus 0.0055 0.0189 1
Schistosoma mansoni cell adhesion molecule 0.0052 0.0151 0.1281
Echinococcus granulosus metabotropic glutamate receptor 5 0.0107 0.083 0.6596
Brugia malayi jmjC domain containing protein 0.0179 0.1701 0.1701
Schistosoma mansoni cpg binding protein 0.005 0.0128 0.1085
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0079 0.0485 0.0485
Brugia malayi metabotropic glutamate receptor type 2 0.0042 0.004 0.004
Brugia malayi jmjC domain containing protein 0.0142 0.1259 0.1259
Schistosoma mansoni metabotropic glutamate receptor 0.0042 0.004 0.0343
Toxoplasma gondii PLU-1 family protein 0.0043 0.0047 0.0047
Brugia malayi Metabotropic glutamate receptor precursor. 0.0087 0.0585 0.0585
Trichomonas vaginalis conserved hypothetical protein 0.086 1 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0142 0.1259 1
Echinococcus granulosus jumonji domain containing 1A 0.0115 0.0922 0.7321
Schistosoma mansoni cpg binding protein 0.0051 0.0147 0.1253
Loa Loa (eye worm) hypothetical protein 0.0052 0.0151 0.0151
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0011 0.0088
Loa Loa (eye worm) glutamate receptor 0.0087 0.0585 0.0585
Loa Loa (eye worm) jmjC domain-containing protein 0.0115 0.0922 0.0922
Loa Loa (eye worm) macrophage migration inhibitory factor 0.086 1 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0142 0.1259 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0136 0.1176 1
Echinococcus multilocularis protein kinase shaggy 0.0055 0.0189 0.1502
Giardia lamblia Macrophage migration inhibitory factor 0.086 1 1
Plasmodium falciparum macrophage migration inhibitory factor 0.086 1 1
Schistosoma mansoni jumonji domain containing protein 0.0115 0.0922 0.7837
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0055 0.0189 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.083 0.083
Echinococcus multilocularis roundabout 2 0.0052 0.0151 0.1196
Echinococcus multilocularis neuroglian 0.0052 0.0151 0.1196
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0064 0.0305 0.0305
Brugia malayi Fibronectin type III domain containing protein 0.0052 0.0151 0.0151
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0055 0.0189 0.1502
Echinococcus granulosus Immunoglobulin 0.0052 0.0151 0.1196
Echinococcus multilocularis Immunoglobulin 0.0052 0.0151 0.1196
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0055 0.0189 0.0189
Brugia malayi hypothetical protein 0.0052 0.0151 0.0151
Echinococcus multilocularis cpg binding protein 0.0051 0.0147 0.117
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0099 0.0731 0.6212
Echinococcus granulosus twitchin 0.0052 0.0157 0.1247
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0052 0.0151 0.1196
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0052 0.0151 0.1281
Loa Loa (eye worm) hypothetical protein 0.0052 0.0151 0.0151
Loa Loa (eye worm) hypothetical protein 0.0052 0.0151 0.0151
Schistosoma mansoni vesicular amine transporter 0.0052 0.0151 0.1281
Loa Loa (eye worm) hypothetical protein 0.0052 0.0151 0.0151
Echinococcus granulosus lysine specific demethylase 5A 0.0136 0.1176 0.9342
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0055 0.0189 0.0189
Brugia malayi Immunoglobulin I-set domain containing protein 0.0052 0.0151 0.0151
Echinococcus multilocularis Immunoglobulin 0.0052 0.0151 0.1196
Brugia malayi jmjC domain containing protein 0.0061 0.026 0.026
Schistosoma mansoni cpg binding protein 0.0051 0.0147 0.1253
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0247 0.0247
Loa Loa (eye worm) hypothetical protein 0.0052 0.0151 0.0151
Echinococcus granulosus roundabout 2 0.0052 0.0151 0.1196
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0056 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.0052 0.0151 0.0151
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0107 0.083 0.6596
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.086 1 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0131 0.1116 0.8864
Loa Loa (eye worm) hypothetical protein 0.0052 0.0151 0.0151
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.086 1 1
Leishmania major macrophage migration inhibitory factor-like protein 0.086 1 1
Brugia malayi jmjC domain containing protein 0.0061 0.026 0.026
Echinococcus granulosus cpg binding protein 0.0051 0.0147 0.117
Loa Loa (eye worm) hypothetical protein 0.0079 0.0489 0.0489
Plasmodium vivax macrophage migration inhibitory factor, putative 0.086 1 1
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.086 1 1
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0073 0.0413 0.3277
Echinococcus multilocularis jumonji domain containing 1A 0.0115 0.0922 0.7321
Echinococcus granulosus defective proboscis extension response 0.0052 0.0151 0.1196
Loa Loa (eye worm) jmjC domain-containing protein 0.0179 0.1701 0.1701
Echinococcus multilocularis lysine specific demethylase 5A 0.0134 0.1156 0.9185
Echinococcus granulosus neuroglian 0.0052 0.0151 0.1196
Echinococcus granulosus jumonji domain containing protein 0.004 0.0011 0.0088
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0055 0.0189 0.0189
Plasmodium falciparum JmjC domain-containing protein, putative 0.0061 0.0266 0.0079
Echinococcus granulosus protein kinase shaggy 0.0055 0.0189 0.1502
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0367 0.3992 0.3992
Schistosoma mansoni metabotropic glutamate receptor 0.0073 0.0413 0.3508
Brugia malayi jmjC domain containing protein 0.0115 0.0922 0.0922
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0131 0.1116 0.8864
Loa Loa (eye worm) hypothetical protein 0.0052 0.0151 0.0151
Loa Loa (eye worm) hypothetical protein 0.0052 0.0151 0.0151
Echinococcus granulosus metabotropic glutamate receptor 2 0.0073 0.0413 0.3277
Loa Loa (eye worm) hypothetical protein 0.01 0.0738 0.0738
Leishmania major macrophage migration inhibitory factor-like protein 0.086 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0136 0.1176 1
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0055 0.0189 0.1608
Brugia malayi CXXC zinc finger family protein 0.005 0.0128 0.0128
Loa Loa (eye worm) CXXC zinc finger family protein 0.005 0.0128 0.0128
Schistosoma mansoni jumonji domain containing protein 0.0123 0.1023 0.8696
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0052 0.0151 0.1196
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0055 0.0189 0.1502
Schistosoma mansoni nephrin 0.0052 0.0151 0.1281
Plasmodium vivax JmjC domain containing protein 0.0061 0.0266 0.0079

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 30 um PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ] ChEMBL. No reference
EC50 (functional) > 44 um PUBCHEM_BIOASSAY: Counterscreen for S1P2 Agonists: Dose Response High Throughput Cell-Based Screen to Identify Activators of CRE-BLA: S1P2 Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854 ] 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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