Detailed information for compound 910427

Basic information

Technical information
  • TDR Targets ID: 910427
  • Name: 2-(4-oxo-3-phenylspiro[6H-benzo[h]quinazoline -5,1'-cyclopentane]-2-yl)sulfanylacetamide
  • MW: 417.523 | Formula: C24H23N3O2S
  • H donors: 1 H acceptors: 2 LogP: 4.58 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCC3
  • InChi: 1S/C24H23N3O2S/c25-19(28)15-30-23-26-21-18-11-5-4-8-16(18)14-24(12-6-7-13-24)20(21)22(29)27(23)17-9-2-1-3-10-17/h1-5,8-11H,6-7,12-15H2,(H2,25,28)
  • InChiKey: ZFAYNIWVGFJMNW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-oxo-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetamide
  • 2-[(4-oxo-3-phenyl-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]yl)thio]acetamide
  • 2-[(4-keto-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)thio]acetamide
  • 2-(4-oxo-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylethanamide
  • ZINC00755302
  • Oprea1_202048
  • EU-0007049
  • Oprea1_282574
  • BAS 02141639
  • ChemDiv1_005846

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
Loa Loa (eye worm) hypothetical protein 0.0099 0.1957 0.1957
Trichomonas vaginalis glutaminase, putative 0.0267 0.6785 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.1957 0.1957
Schistosoma mansoni hypothetical protein 0.0068 0.1051 0.1051
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0379 1 1
Loa Loa (eye worm) RNA binding protein 0.0258 0.653 0.653
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0258 0.653 0.653
Schistosoma mansoni tar DNA-binding protein 0.0258 0.653 0.653
Schistosoma mansoni tar DNA-binding protein 0.0258 0.653 0.653
Brugia malayi RNA binding protein 0.0258 0.653 0.653
Echinococcus multilocularis tar DNA binding protein 0.0258 0.653 0.653
Loa Loa (eye worm) glutaminase 0.0267 0.6785 0.6785
Loa Loa (eye worm) hypothetical protein 0.0068 0.1051 0.1051
Brugia malayi glutaminase DH11.1 0.0267 0.6785 0.6785
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0379 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0379 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0365 0.9605 0.9605
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.1051 0.1051
Loa Loa (eye worm) TAR-binding protein 0.0258 0.653 0.653
Brugia malayi RNA recognition motif domain containing protein 0.0258 0.653 0.653
Brugia malayi TAR-binding protein 0.0258 0.653 0.653
Loa Loa (eye worm) MH2 domain-containing protein 0.0365 0.9605 0.9605
Schistosoma mansoni tar DNA-binding protein 0.0258 0.653 0.653
Schistosoma mansoni tar DNA-binding protein 0.0258 0.653 0.653
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0379 1 1
Echinococcus granulosus tar DNA binding protein 0.0258 0.653 0.653
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0379 1 1
Loa Loa (eye worm) glutaminase 2 0.0267 0.6785 0.6785
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.1957 0.1957
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0379 1 1
Brugia malayi MH2 domain containing protein 0.0365 0.9605 0.9605
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0379 1 1
Schistosoma mansoni tar DNA-binding protein 0.0258 0.653 0.653
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0379 1 1
Mycobacterium ulcerans glutaminase 0.0267 0.6785 0.5
Schistosoma mansoni glutaminase 0.0267 0.6785 0.6785
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.1957 0.1957

Activities

No activities found for this compound.

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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