Detailed information for compound 1498917

Basic information

Technical information
  • TDR Targets ID: 1498917
  • Name: 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-y l)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
  • MW: 403.429 | Formula: C20H25N3O6
  • H donors: 1 H acceptors: 4 LogP: 1.98 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OC)CCNC(=O)CN1C(=O)N(C(=O)C1=O)C1CCCC1
  • InChi: 1S/C20H25N3O6/c1-28-15-8-7-13(11-16(15)29-2)9-10-21-17(24)12-22-18(25)19(26)23(20(22)27)14-5-3-4-6-14/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,21,24)
  • InChiKey: UIVZLYPUIVRZEQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3-cyclopentyl-2,4,5-trioxo-imidazolidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
  • 2-(3-cyclopentyl-2,4,5-trioxo-1-imidazolidinyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
  • 2-(3-cyclopentyl-2,4,5-triketo-imidazolidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
  • 2-(3-cyclopentyl-2,4,5-trioxo-imidazolidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide
  • ZINC03378755
  • T5287720

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1313 0.1966
Trypanosoma brucei Replication factor A protein 1 0.0067 0.1743 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1313 0.1966
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0132 0.421 0.2988
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8693 1
Onchocerca volvulus Putative replication factor A 73 kDa subunit 0.0124 0.3919 0.3537
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1313 0.1216
Brugia malayi Pre-SET motif family protein 0.0251 0.8693 1
Giardia lamblia Hypothetical protein 0.002 0 0.5
Brugia malayi replication factor A 73 kDa subunit 0.0139 0.4469 0.4972
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1313 0.1863
Schistosoma mansoni replication factor A 1 rfa1 0.0139 0.4469 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1313 0.1863
Loa Loa (eye worm) replication factor A 73 kDa subunit 0.0139 0.4469 0.4972
Trypanosoma cruzi Replication factor A protein 1 0.0067 0.1743 0.5
Leishmania major replication factor A, 51kDa subunit, putative 0.0067 0.1743 0.5
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0139 0.4469 0.3301
Entamoeba histolytica replication factor A protein 1, putative 0.006 0.1485 0.5
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1313 0.1216
Plasmodium falciparum replication protein A1, large subunit 0.0067 0.1743 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1313 0.1863
Loa Loa (eye worm) hypothetical protein 0.0036 0.0591 0.0357
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1313 0.1863
Echinococcus multilocularis replication protein A 70 kDa DNA binding 0.0139 0.4469 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0591 0.0357
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1313 0.1863
Toxoplasma gondii replication factor-a protein 1 (rpa1) subfamily protein 0.0067 0.1743 1
Echinococcus granulosus replication protein A 70 kDa DNA binding 0.0139 0.4469 1
Plasmodium vivax replication protein A1, large subunit, putative 0.0067 0.1743 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0591 0.0127
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0139 0.4469 0.3301
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0591 0.0348

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2589 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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