Detailed information for compound 1471824

Basic information

Technical information
  • TDR Targets ID: 1471824
  • Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]p henyl]-5,7-dimethyl-4-oxochromene-2-carboxami de
  • MW: 478.52 | Formula: C24H22N4O5S
  • H donors: 2 H acceptors: 6 LogP: 3.26 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cc(=O)c2c(o1)cc(cc2C)C
  • InChi: 1S/C24H22N4O5S/c1-13-9-14(2)22-19(29)12-21(33-20(22)10-13)23(30)27-17-5-7-18(8-6-17)34(31,32)28-24-25-15(3)11-16(4)26-24/h5-12H,1-4H3,(H,27,30)(H,25,26,28)
  • InChiKey: SYMRPZQIXCCHHZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5,7-dimethyl-4-oxo-chromene-2-carboxamide
  • N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-5,7-dimethyl-4-oxo-2-chromenecarboxamide
  • N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-keto-5,7-dimethyl-chromene-2-carboxamide
  • D103-1583
  • NCGC00115804-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis SWI:SNF matrix associated 0.0127 1 1
Leishmania major hypothetical protein, conserved 0.0045 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0045 0 0.5
Leishmania major hypothetical protein, conserved 0.0045 0 0.5
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0045 0 0.5
Echinococcus granulosus SWI:SNF matrix associated 0.0127 1 1
Leishmania major hypothetical protein, conserved 0.0045 0 0.5
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0127 1 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0045 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0045 0 0.5
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0127 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0045 0 0.5
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0127 1 1
Schistosoma mansoni brg-1 associated factor 0.0127 1 1
Loa Loa (eye worm) brahma associated protein 0.0127 1 1
Leishmania major hypothetical protein, conserved 0.0045 0 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0045 0 0.5
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0127 1 1
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0127 1 1
Schistosoma mansoni hypothetical protein 0.0127 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0127 1 1
Schistosoma mansoni hypothetical protein 0.0127 1 1
Brugia malayi SWIB/MDM2 domain containing protein 0.0127 1 1
Leishmania major hypothetical protein, conserved 0.0045 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0127 1 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.0045 0 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0045 0 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0045 0 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0127 1 1
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0045 0 0.5
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0127 1 0.5
Onchocerca volvulus 0.0127 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0127 1 0.5
Chlamydia trachomatis DNA topoisomerase I 0.0127 1 0.5
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0127 1 1
Schistosoma mansoni hypothetical protein 0.0127 1 1
Brugia malayi brahma associated protein 60 kDa 0.0127 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0 0.5
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0127 1 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0045 0 0.5
Chlamydia trachomatis SWIB complex protein 0.0127 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 25.1189 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) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Permissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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 Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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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