Detailed information for compound 1454449

Basic information

Technical information
  • TDR Targets ID: 1454449
  • Name: N-[(4-methoxyphenyl)methyl]-2,4-dioxo-3-pheny l-1H-quinazoline-7-carboxamide
  • MW: 401.415 | Formula: C23H19N3O4
  • H donors: 2 H acceptors: 3 LogP: 2.93 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CNC(=O)c1ccc2c(c1)[nH]c(=O)n(c2=O)c1ccccc1
  • InChi: 1S/C23H19N3O4/c1-30-18-10-7-15(8-11-18)14-24-21(27)16-9-12-19-20(13-16)25-23(29)26(22(19)28)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,24,27)(H,25,29)
  • InChiKey: PSNRHWYDZJISPP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,4-diketo-N-(4-methoxybenzyl)-3-phenyl-1H-quinazoline-7-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens sphingomyelin phosphodiesterase 1, acid lysosomal Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) RNA binding protein 0.0076 0.2814 0.2779
Leishmania major hypothetical protein, conserved 0.0056 0.1424 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.1391 0.1349
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2814 0.2814
Loa Loa (eye worm) hypothetical protein 0.0056 0.1424 0.1382
Loa Loa (eye worm) latrophilin receptor protein 2 0.0056 0.1391 0.1349
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0177 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.0056 0.1424 1
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.45 0.5
Schistosoma mansoni hypothetical protein 0.0056 0.1391 0.225
Brugia malayi TAR-binding protein 0.0076 0.2814 0.2814
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2814 0.4635
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0056 0.1391 0.1391
Trypanosoma cruzi PAB1-binding protein , putative 0.0056 0.1424 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2814 1
Brugia malayi Latrophilin receptor protein 2 0.0056 0.1391 0.1391
Echinococcus granulosus tar DNA binding protein 0.0076 0.2814 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0056 0.1424 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0056 0.1424 1
Echinococcus multilocularis GPCR, family 2 0.0056 0.1391 0.4854
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2814 0.4635
Brugia malayi isocitrate dehydrogenase 0.0037 0.0049 0.0049
Schistosoma mansoni hypothetical protein 0.0056 0.1391 0.225
Schistosoma mansoni hypothetical protein 0.0121 0.6015 1
Trypanosoma brucei PAB1-binding protein , putative 0.0056 0.1424 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2814 0.2779
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0056 0.1391 0.4854
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0037 0.0049 0.5
Schistosoma mansoni hypothetical protein 0.0056 0.1391 0.225
Brugia malayi RNA binding protein 0.0076 0.2814 0.2814
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2814 0.2779
Echinococcus granulosus GPCR family 2 0.0056 0.1391 0.4854
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0056 0.1391 0.4854
Loa Loa (eye worm) hypothetical protein 0.01 0.45 0.4474
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2814 0.4635
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0056 0.1391 0.4854
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2814 0.4635
Plasmodium falciparum ataxin-2 like protein, putative 0.0056 0.1424 1
Plasmodium vivax ataxin-2 like protein, putative 0.0056 0.1424 1
Brugia malayi Isocitrate dehydrogenase 0.0037 0.0049 0.0049
Schistosoma mansoni hypothetical protein 0.0056 0.1391 0.225
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0056 0.1391 0.4854
Brugia malayi hypothetical protein 0.0056 0.1424 0.1424
Loa Loa (eye worm) hypothetical protein 0.0177 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2814 0.4635
Brugia malayi latrophilin 2 splice variant baaae 0.0121 0.6015 0.6015
Loa Loa (eye worm) hypothetical protein 0.0121 0.6015 0.5996
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.45 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0177 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 12.5893 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) 15.8489 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 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) 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
Potency (functional) 89.1251 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

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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