Detailed information for compound 1610642

Basic information

Technical information
  • TDR Targets ID: 1610642
  • Name: 3-(4,6-dimethoxypyrimidin-2-yl)-1-(3-methyl-4 -oxoquinazolin-5-yl)sulfonylurea
  • MW: 420.4 | Formula: C16H16N6O6S
  • H donors: 2 H acceptors: 6 LogP: 0.8 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1cccc2c1c(=O)n(cn2)C
  • InChi: 1S/C16H16N6O6S/c1-22-8-17-9-5-4-6-10(13(9)14(22)23)29(25,26)21-16(24)20-15-18-11(27-2)7-12(19-15)28-3/h4-8H,1-3H3,(H2,18,19,20,21,24)
  • InChiKey: PXSMSZTYNJURNZ-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-(4,6-dimethoxypyrimidin-2-yl)-1-(3-methyl-4-oxo-quinazolin-5-yl)sulfonyl-urea
  • 3-(4,6-dimethoxy-2-pyrimidinyl)-1-[(3-methyl-4-oxo-5-quinazolinyl)sulfonyl]urea
  • 3-(4,6-dimethoxypyrimidin-2-yl)-1-(4-keto-3-methyl-quinazolin-5-yl)sulfonyl-urea
  • NCI60_029505
  • 5-(((((4,6-Dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-3-methyl-4-oxo-3,4-dihydroquinazoline
  • AIDS-148959
  • AIDS148959
  • NSC682465

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
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0357 0.4211 0.4211
Loa Loa (eye worm) hypothetical protein 0.0357 0.4211 0.4211
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0357 0.4211 1
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0056 0 0.5
Onchocerca volvulus 0.077 1 1
Mycobacterium ulcerans hypothetical protein 0.0056 0 0.5
Trypanosoma cruzi endonuclease G, putative 0.0214 0.2216 0.5
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0301 0.3425 0.8134
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0357 0.4211 1
Loa Loa (eye worm) hypothetical protein 0.0357 0.4211 0.4211
Brugia malayi MH2 domain containing protein 0.0131 0.1055 0.1055
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0357 0.4211 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0357 0.4211 0.4211
Brugia malayi Muscleblind-like protein 0.0164 0.1518 0.1518
Leishmania major endonuclease G, putative 0.0214 0.2216 1
Onchocerca volvulus 0.0357 0.4211 0.4211
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0357 0.4211 1
Echinococcus multilocularis muscleblind protein 0.0164 0.1518 0.3604
Onchocerca volvulus 0.0357 0.4211 0.4211
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0214 0.2216 0.5
Echinococcus multilocularis muscleblind protein 1 0.0164 0.1518 0.3604
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0357 0.4211 0.4211
Echinococcus granulosus ectonucleotide 0.0301 0.3425 0.8134
Echinococcus granulosus muscleblind protein 0.0164 0.1518 0.3604
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0357 0.4211 1
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0357 0.4211 0.4211
Trypanosoma brucei endonuclease G, putative 0.0214 0.2216 1
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.077 1 1
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0214 0.2216 1
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0214 0.2216 0.5
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0357 0.4211 1
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0056 0 0.5
Trypanosoma brucei endonuclease G, putative 0.0214 0.2216 1
Schistosoma mansoni hypothetical protein 0.077 1 1
Schistosoma mansoni endonuclease related 0.0214 0.2216 0.2216
Giardia lamblia Phosphatidylinositol-glycan biosynthesis, class O protein 0.0056 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0164 0.1518 0.1518
Echinococcus multilocularis Endonuclease G 0.0214 0.2216 0.5262
Echinococcus granulosus Endonuclease G 0.0214 0.2216 0.5262
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0357 0.4211 1
Plasmodium falciparum GPI ethanolamine phosphate transferase 3, putative 0.0056 0 0.5
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0357 0.4211 1
Loa Loa (eye worm) hypothetical protein 0.0301 0.3425 0.3425
Loa Loa (eye worm) hypothetical protein 0.0357 0.4211 0.4211
Trypanosoma brucei endonuclease G, putative 0.0214 0.2216 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0131 0.1055 0.1055
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0357 0.4211 1
Echinococcus multilocularis ectonucleotide 0.0301 0.3425 0.8134
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0301 0.3425 0.8134
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0357 0.4211 0.4211
Brugia malayi endonuclease G, mitochondrial precursor 0.0214 0.2216 0.2216
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0357 0.4211 1
Loa Loa (eye worm) transcription factor SMAD2 0.0131 0.1055 0.1055
Mycobacterium leprae hypothetical protein 0.0056 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0164 0.1518 0.1518
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0214 0.2216 0.5
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0357 0.4211 1
Trypanosoma cruzi endonuclease G, putative 0.0214 0.2216 0.5

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (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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