Detailed information for compound 1483361

Basic information

Technical information
  • TDR Targets ID: 1483361
  • Name: 2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]- 4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyeth yl)acetamide
  • MW: 473.542 | Formula: C23H27N3O6S
  • H donors: 1 H acceptors: 2 LogP: 2.43 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNC(=O)CSc1nc2cc(OC)c(cc2c(=O)n1Cc1ccc(cc1)OC)OC
  • InChi: 1S/C23H27N3O6S/c1-29-10-9-24-21(27)14-33-23-25-18-12-20(32-4)19(31-3)11-17(18)22(28)26(23)13-15-5-7-16(30-2)8-6-15/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,24,27)
  • InChiKey: TVEIJZHUOANSHM-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide
  • 2-[[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-(2-methoxyethyl)acetamide
  • 2-[[4-keto-6,7-dimethoxy-3-(4-methoxybenzyl)quinazolin-2-yl]thio]-N-(2-methoxyethyl)acetamide
  • 2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)ethanamide
  • MLS000833908
  • MLS000095410
  • SMR000030964
  • 2-{[6,7-dimethoxy-3-(4-methoxybenzyl)-4-oxo-3,4-dihydroquinazolin-2-yl]thio}-N-(2-methoxyethyl)acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545

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
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0338 1 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0123 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0132 0.2916 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0338 1 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0338 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0132 0.2916 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0132 0.2916 1
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0338 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0132 0.2916 1
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0338 1 0.5
Plasmodium falciparum dihydroorotate dehydrogenase 0.0338 1 0.5
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.0338 1 0.5
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0132 0.2916 1
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0338 1 0.5
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0123 0.0422
Schistosoma mansoni dihydroorotate dehydrogenase 0.0338 1 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1272 0.4361
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1272 0.4361
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0132 0.2916 1
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0338 1 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0132 0.2916 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0123 0.0422
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0338 1 0.5
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0132 0.2916 1
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0338 1 0.5
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0132 0.2916 1
Brugia malayi Heterochromatin protein 1 0.0084 0.1272 0.1272
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0338 1 0.5
Brugia malayi Zinc finger, C2H2 type family protein 0.0132 0.2916 0.2916
Leishmania major dihydroorotate dehydrogenase 0.0338 1 0.5
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0132 0.2916 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.1272 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0132 0.2916 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 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) 18.526 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) 23.1093 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] 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

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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