Detailed information for compound 1750799

Basic information

Technical information
  • TDR Targets ID: 1750799
  • Name: 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4- yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetami de
  • MW: 357.47 | Formula: C19H23N3O2S
  • H donors: 2 H acceptors: 2 LogP: 3.43 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1c(C)cc(cc1C)C)CSc1nc(=O)[nH]c2c1CCCC2
  • InChi: 1S/C19H23N3O2S/c1-11-8-12(2)17(13(3)9-11)21-16(23)10-25-18-14-6-4-5-7-15(14)20-19(24)22-18/h8-9H,4-7,10H2,1-3H3,(H,21,23)(H,20,22,24)
  • InChiKey: FTHDUHXCTLNCBN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)thio]-N-(2,4,6-trimethylphenyl)acetamide
  • 2-[(2-keto-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)thio]-N-(2,4,6-trimethylphenyl)acetamide
  • 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide
  • G857-0052
  • NCGC00136996-01
  • ZINC04316970

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis plexin a4 0.0441 0.6458 1
Brugia malayi hypothetical protein 0.0156 0.175 0.2348
Brugia malayi Immunoglobulin I-set domain containing protein 0.0072 0.037 0.0105
Schistosoma mansoni plexin 0.0373 0.5332 1
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0306 0.5
Echinococcus granulosus semaphorin 1A 0.0156 0.175 0.175
Brugia malayi plexin A 0.0441 0.6458 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0045 0.007
Loa Loa (eye worm) hypothetical protein 0.0217 0.2761 0.4275
Echinococcus granulosus semaphorin 5B 0.0156 0.175 0.175
Loa Loa (eye worm) sema domain-containing protein 0.0156 0.175 0.271
Schistosoma mansoni fibrocystin l 0.0068 0.0306 0.0573
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0306 0.5
Echinococcus granulosus roundabout 2 0.0052 0.0045 0.0045
Echinococcus multilocularis semaphorin 5B 0.0156 0.175 0.2659
Loa Loa (eye worm) hypothetical protein 0.0156 0.175 0.271
Echinococcus multilocularis exocyst complex component 2 0.0068 0.0306 0.0407
Brugia malayi Sema domain containing protein 0.0156 0.175 0.2348
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0306 0.5
Echinococcus multilocularis hypothetical protein 0.0156 0.175 0.2659
Loa Loa (eye worm) hypothetical protein 0.0068 0.0306 0.0473
Loa Loa (eye worm) hypothetical protein 0.0052 0.0045 0.007
Loa Loa (eye worm) plexin A 0.0441 0.6458 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.0306 0.0473
Echinococcus granulosus exocyst complex component 2 0.0068 0.0306 0.0306
Schistosoma mansoni hypothetical protein 0.0217 0.2761 0.5178
Schistosoma mansoni hypothetical protein 0.0156 0.175 0.3282
Schistosoma mansoni plexin 0.0217 0.2761 0.5178
Schistosoma mansoni hypothetical protein 0.0156 0.175 0.3282
Loa Loa (eye worm) hypothetical protein 0.0156 0.175 0.271
Loa Loa (eye worm) sema domain-containing protein 0.0156 0.175 0.271
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0306 0.5
Entamoeba histolytica tyrosin kinase, putative 0.0091 0.0676 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.175 0.271
Loa Loa (eye worm) hypothetical protein 0.0373 0.5332 0.8256
Schistosoma mansoni semaphorin 5-related 0.0156 0.175 0.3282
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0068 0.0306 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0091 0.0676 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.175 0.271
Brugia malayi Plexin repeat family protein 0.0373 0.5332 0.8169
Brugia malayi Sema domain containing protein 0.0156 0.175 0.2348
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0306 0.5
Onchocerca volvulus 0.0373 0.5332 1
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0068 0.0306 0.5
Schistosoma mansoni hypothetical protein 0.0068 0.0306 0.0573
Echinococcus granulosus transcription factor collier 0.0068 0.0306 0.0306
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0068 0.0306 0.5
Loa Loa (eye worm) hypothetical protein 0.0156 0.175 0.271
Echinococcus multilocularis transcription factor collier 0.0068 0.0306 0.0407
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0072 0.037 0.0574
Echinococcus granulosus plexin a4 0.0441 0.6458 0.6458
Brugia malayi hypothetical protein 0.0156 0.175 0.2348
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0306 0.5
Schistosoma mansoni hypothetical protein 0.0068 0.0306 0.0573
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0306 0.5
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0068 0.0306 0.5
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0068 0.0306 0.5
Loa Loa (eye worm) hypothetical protein 0.0156 0.175 0.271
Loa Loa (eye worm) hypothetical protein 0.0068 0.0306 0.0473
Loa Loa (eye worm) hypothetical protein 0.0068 0.0306 0.0473

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.