Detailed information for compound 1887832

Basic information

Technical information
  • TDR Targets ID: 1887832
  • Name: 2-methyl-3-[(4-methylsulfanylphenyl)methylide neamino]quinazolin-4-one
  • MW: 309.386 | Formula: C17H15N3OS
  • H donors: 0 H acceptors: 1 LogP: 3.02 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1ccc(cc1)/C=N/n1c(C)nc2c(c1=O)cccc2
  • InChi: 1S/C17H15N3OS/c1-12-19-16-6-4-3-5-15(16)17(21)20(12)18-11-13-7-9-14(22-2)10-8-13/h3-11H,1-2H3/b18-11+
  • InChiKey: PTLYSBHKCPLMNC-WOJGMQOQSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-methyl-3-[(4-methylsulfanylphenyl)methyleneamino]quinazolin-4-one
  • 2-methyl-3-[[4-(methylthio)phenyl]methyleneamino]-4-quinazolinone
  • 2-methyl-3-[[4-(methylthio)benzylidene]amino]quinazolin-4-one
  • T0519-1268
  • Oprea1_075428

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens EYA transcriptional coactivator and phosphatase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Schistosoma japonicum ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative Get druggable targets OG5_129664 All targets in OG5_129664
Schistosoma mansoni eyes absent homolog Get druggable targets OG5_129664 All targets in OG5_129664
Brugia malayi hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664

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
Echinococcus multilocularis ecdysone induced protein 78C 0.0075 0.5264 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0075 0.5264 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0075 0.5264 1
Schistosoma mansoni thyroid hormone receptor 0.0075 0.5264 0.5264
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0075 0.5264 0.5264
Brugia malayi Steroid receptor seven-up type 2 0.0075 0.5264 0.5264
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0075 0.5264 0.5264
Brugia malayi nuclear receptor NHR-88 0.0075 0.5264 0.5264
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0075 0.5264 0.5264
Brugia malayi photoreceptor-specific nuclear receptor 0.0075 0.5264 0.5264
Loa Loa (eye worm) hypothetical protein 0.0106 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0075 0.5264 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0075 0.5264 0.5264
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0075 0.5264 0.5264
Loa Loa (eye worm) hypothetical protein 0.0075 0.5264 0.5264
Loa Loa (eye worm) hypothetical protein 0.0075 0.5264 0.5264
Echinococcus multilocularis thyroid hormone receptor alpha 0.0075 0.5264 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0075 0.5264 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0075 0.5264 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0075 0.5264 0.5264
Schistosoma mansoni RAR-like nuclear receptor 0.0075 0.5264 0.5264
Loa Loa (eye worm) hypothetical protein 0.0075 0.5264 0.5264
Schistosoma mansoni eyes absent homolog 0.0106 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0075 0.5264 0.5264
Brugia malayi ecdysteroid receptor 0.0075 0.5264 0.5264
Schistosoma mansoni coup transcription factor 0.0075 0.5264 0.5264
Echinococcus granulosus FTZ F1 alpha 0.0075 0.5264 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0075 0.5264 0.5264
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0075 0.5264 0.5264
Loa Loa (eye worm) hypothetical protein 0.0075 0.5264 0.5264
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0075 0.5264 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0075 0.5264 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0075 0.5264 0.5264
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0075 0.5264 0.5264
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0075 0.5264 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0075 0.5264 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0075 0.5264 0.5264
Schistosoma mansoni thyroid hormone receptor 0.0075 0.5264 0.5264
Echinococcus multilocularis FTZ F1 alpha 0.0075 0.5264 1
Onchocerca volvulus 0.0075 0.5264 0.5
Brugia malayi steroid hormone receptor 0.0075 0.5264 0.5264
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0075 0.5264 0.5264
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0075 0.5264 1
Echinococcus granulosus ecdysone induced protein 78C 0.0075 0.5264 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0075 0.5264 0.5264
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0075 0.5264 0.5264
Schistosoma mansoni retinoic acid receptor RXR 0.0075 0.5264 0.5264
Schistosoma mansoni nuclear hormone receptor 0.0075 0.5264 0.5264
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0075 0.5264 0.5264
Brugia malayi nuclear hormone receptor 0.0075 0.5264 0.5264
Loa Loa (eye worm) steroid hormone receptor 0.0075 0.5264 0.5264
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0075 0.5264 1
Onchocerca volvulus Bile acid receptor homolog 0.0075 0.5264 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0075 0.5264 0.5264
Loa Loa (eye worm) hypothetical protein 0.0075 0.5264 0.5264
Loa Loa (eye worm) hypothetical protein 0.0075 0.5264 0.5264
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0075 0.5264 0.5264
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0075 0.5264 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0075 0.5264 0.5264
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0075 0.5264 0.5264
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0075 0.5264 0.5264
Schistosoma mansoni steroid hormone receptor ad4bp 0.0075 0.5264 0.5264
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0075 0.5264 0.5264
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0075 0.5264 0.5264
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0075 0.5264 0.5264
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0075 0.5264 1
Loa Loa (eye worm) hypothetical protein 0.0106 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.5264 0.5264
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0075 0.5264 0.5264
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0075 0.5264 0.5264
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0075 0.5264 0.5264
Loa Loa (eye worm) hypothetical protein 0.0075 0.5264 0.5264
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0075 0.5264 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0075 0.5264 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.3753 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) 13.1154 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) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 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

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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