Detailed information for compound 1397330

Basic information

Technical information
  • TDR Targets ID: 1397330
  • Name: N-cyclopentyl-1-[2-[(2-ethoxyphenyl)amino]-2- oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquina zoline-7-carboxamide
  • MW: 530.572 | Formula: C29H30N4O6
  • H donors: 2 H acceptors: 4 LogP: 3.19 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOc1ccccc1NC(=O)Cn1c2cc(ccc2c(=O)n(c1=O)Cc1ccco1)C(=O)NC1CCCC1
  • InChi: 1S/C29H30N4O6/c1-2-38-25-12-6-5-11-23(25)31-26(34)18-32-24-16-19(27(35)30-20-8-3-4-9-20)13-14-22(24)28(36)33(29(32)37)17-21-10-7-15-39-21/h5-7,10-16,20H,2-4,8-9,17-18H2,1H3,(H,30,35)(H,31,34)
  • InChiKey: IADPIHKYDGDIII-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-cyclopentyl-1-[2-[(2-ethoxyphenyl)amino]-2-oxo-ethyl]-3-(2-furylmethyl)-2,4-dioxo-quinazoline-7-carboxamide
  • N-cyclopentyl-1-[2-[(2-ethoxyphenyl)amino]-2-oxoethyl]-3-(2-furylmethyl)-2,4-dioxo-7-quinazolinecarboxamide
  • N-cyclopentyl-1-[2-[(2-ethoxyphenyl)amino]-2-keto-ethyl]-3-(2-furylmethyl)-2,4-diketo-quinazoline-7-carboxamide
  • N-cyclopentyl-1-[2-[(2-ethoxyphenyl)amino]-2-oxo-ethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-quinazoline-7-carboxamide
  • NCGC00108850-01
  • C487-0553

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
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) hypothetical protein 0.009 0.1896 0.4382
Loa Loa (eye worm) hypothetical protein 0.009 0.1896 0.4382
Echinococcus multilocularis serotonin transporter 0.009 0.1896 0.1896
Brugia malayi AMP-binding enzyme family protein 0.0185 0.4327 1
Echinococcus granulosus serotonin transporter 0.009 0.1896 0.1896
Schistosoma mansoni sodium/chloride dependent transporter 0.009 0.1896 0.4537
Loa Loa (eye worm) norepinephrine transporter 0.009 0.1896 0.4382
Echinococcus granulosus long chain fatty acid transport protein 4 0.0179 0.4179 0.4179
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0185 0.4327 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0177 0.412 0.5
Loa Loa (eye worm) serotonin transporter b 0.009 0.1896 0.4382
Loa Loa (eye worm) hypothetical protein 0.006 0.1133 0.2618
Loa Loa (eye worm) hypothetical protein 0.009 0.1896 0.4382
Onchocerca volvulus 0.006 0.1133 0.5974
Brugia malayi Sodium:neurotransmitter symporter family protein 0.009 0.1896 0.4382
Treponema pallidum sodium- and chloride- dependent transporter 0.009 0.1896 0.5
Schistosoma mansoni cellular tumor antigen P53 0.006 0.1133 0.271
Loa Loa (eye worm) solute carrier family 6 member 4 0.009 0.1896 0.4382
Schistosoma mansoni FFA transport protein 0.0179 0.4179 1
Mycobacterium leprae possible long-chain acyl-CoA synthase 0.0177 0.412 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.009 0.1896 0.4537
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0179 0.4179 0.5
Onchocerca volvulus 0.009 0.1896 1
Echinococcus multilocularis long chain fatty acid transport protein 4 0.0179 0.4179 0.4179
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0185 0.4327 0.5
Leishmania major fatty acid transporter protein-like protein 0.0177 0.412 0.5
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0179 0.4179 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) 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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