Detailed information for compound 1328740

Basic information

Technical information
  • TDR Targets ID: 1328740
  • Name: 2-[4-[1-[2-[(2,5-dimethylphenyl)amino]-2-oxoe thyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(oxo lan-2-ylmethyl)acetamide
  • MW: 540.61 | Formula: C31H32N4O5
  • H donors: 2 H acceptors: 4 LogP: 3.62 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(Cc1ccc(cc1)n1c(=O)n(CC(=O)Nc2cc(C)ccc2C)c2c(c1=O)cccc2)NCC1CCCO1
  • InChi: 1S/C31H32N4O5/c1-20-9-10-21(2)26(16-20)33-29(37)19-34-27-8-4-3-7-25(27)30(38)35(31(34)39)23-13-11-22(12-14-23)17-28(36)32-18-24-6-5-15-40-24/h3-4,7-14,16,24H,5-6,15,17-19H2,1-2H3,(H,32,36)(H,33,37)
  • InChiKey: ILWYUFDYONTFDI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-[1-[2-[(2,5-dimethylphenyl)amino]-2-oxo-ethyl]-2,4-dioxo-quinazolin-3-yl]phenyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
  • 2-[4-[1-[2-[(2,5-dimethylphenyl)amino]-2-oxoethyl]-2,4-dioxo-3-quinazolinyl]phenyl]-N-(2-tetrahydrofuranylmethyl)acetamide
  • 2-[4-[1-[2-[(2,5-dimethylphenyl)amino]-2-keto-ethyl]-2,4-diketo-quinazolin-3-yl]phenyl]-N-(tetrahydrofurfuryl)acetamide
  • 2-[4-[1-[2-[(2,5-dimethylphenyl)amino]-2-oxo-ethyl]-2,4-dioxo-quinazolin-3-yl]phenyl]-N-(oxolan-2-ylmethyl)ethanamide
  • C260-1907
  • NCGC00106342-01
  • 2-{4-[1-{2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]phenyl}-N-(tetrahydrofuran-2-ylmethyl)acetamide
  • MLS000730470
  • SMR000308746

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) hypothetical protein 0.0101 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0072 0.5813 0.5813
Echinococcus multilocularis tar DNA binding protein 0.0072 0.5813 1
Loa Loa (eye worm) TAR-binding protein 0.0072 0.5813 0.5813
Schistosoma mansoni tar DNA-binding protein 0.0072 0.5813 1
Schistosoma mansoni tar DNA-binding protein 0.0072 0.5813 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0072 0.5813 0.5813
Schistosoma mansoni hypothetical protein 0.0069 0.5371 0.924
Echinococcus granulosus tar DNA binding protein 0.0072 0.5813 1
Schistosoma mansoni tar DNA-binding protein 0.0072 0.5813 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 1 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.5371 0.5371
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.5371 0.5371
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 1 1
Schistosoma mansoni tar DNA-binding protein 0.0072 0.5813 1
Schistosoma mansoni tar DNA-binding protein 0.0072 0.5813 1
Brugia malayi RNA binding protein 0.0072 0.5813 0.5813
Brugia malayi TAR-binding protein 0.0072 0.5813 0.5813
Loa Loa (eye worm) RNA binding protein 0.0072 0.5813 0.5813

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0522 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) 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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