Detailed information for compound 727119

Basic information

Technical information
  • TDR Targets ID: 727119
  • Name: N-(oxolan-2-ylmethyl)-2-(4-oxo-3-phenylquinaz olin-2-yl)sulfanylacetamide
  • MW: 395.475 | Formula: C21H21N3O3S
  • H donors: 1 H acceptors: 2 LogP: 3.13 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CSc1nc2ccccc2c(=O)n1c1ccccc1)NCC1CCCO1
  • InChi: 1S/C21H21N3O3S/c25-19(22-13-16-9-6-12-27-16)14-28-21-23-18-11-5-4-10-17(18)20(26)24(21)15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,22,25)
  • InChiKey: IQJRCDNFDJZQPC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-N-(tetrahydrofuran-2-ylmethyl)acetamide
  • 2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]-N-(2-tetrahydrofuranylmethyl)acetamide
  • 2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]-N-(tetrahydrofurfuryl)acetamide
  • N-(oxolan-2-ylmethyl)-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide
  • BAS 06666148
  • CBKinase1_004521
  • CBKinase1_016921

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens poly(A) binding protein, cytoplasmic 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax polyadenylate-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania braziliensis poly(A)-binding protein 3, putative;with=GeneDB:LmjF25.0080 Get druggable targets OG5_126795 All targets in OG5_126795
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania infantum poly(A)-binding protein 2,poly(a) binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Plasmodium knowlesi polyadenylate-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Trypanosoma congolense polyadenylate-binding protein 1, putative Get druggable targets OG5_126795 All targets in OG5_126795
Brugia malayi polyadenylate-binding protein 4 Get druggable targets OG5_126795 All targets in OG5_126795
Neospora caninum hypothetical protein Get druggable targets OG5_126795 All targets in OG5_126795
Schistosoma mansoni polyadenylate binding protein Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania major poly(A)-binding protein 2 Get druggable targets OG5_126795 All targets in OG5_126795
Trypanosoma cruzi polyadenylate-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Trichomonas vaginalis polyadenylate-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Cryptosporidium parvum poly(a)-binding protein fabm, putative Get druggable targets OG5_126795 All targets in OG5_126795
Giardia lamblia Polyadenylate-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Trichomonas vaginalis poly(A) binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania braziliensis poly(A)-binding protein 2, putative;with=GeneDB:LmjF35.4130,poly(A)-binding protein 2, putative Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania mexicana poly(A)-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Trypanosoma cruzi polyadenylate-binding protein 1, putative Get druggable targets OG5_126795 All targets in OG5_126795
Trypanosoma brucei polyadenylate-binding protein 1 Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania donovani polyadenylate-binding protein 2 Get druggable targets OG5_126795 All targets in OG5_126795
Schistosoma mansoni polyadenylate binding protein Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania mexicana poly(a) binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Plasmodium falciparum polyadenylate-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania infantum polyadenylate-binding protein 1, putative Get druggable targets OG5_126795 All targets in OG5_126795
Trichomonas vaginalis RNA-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Trypanosoma brucei gambiense polyadenylate-binding protein 1, putative,PABP1 Get druggable targets OG5_126795 All targets in OG5_126795
Candida albicans similar to PolyA Binding Protein Get druggable targets OG5_126795 All targets in OG5_126795
Plasmodium berghei polyadenylate-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Entamoeba histolytica polyadenylate-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Trichomonas vaginalis ribonucleoprotein, chloroplast, putative Get druggable targets OG5_126795 All targets in OG5_126795
Trypanosoma congolense polyadenylate-binding protein 2 Get druggable targets OG5_126795 All targets in OG5_126795
Trichomonas vaginalis nuclear acid binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania infantum poly(A)-binding protein 3, putative;with=GeneDB:LmjF25.0080 Get druggable targets OG5_126795 All targets in OG5_126795
Trypanosoma brucei polyadenylate-binding protein 2 Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania donovani polyadenylate-binding protein 1, putative Get druggable targets OG5_126795 All targets in OG5_126795
Echinococcus multilocularis polyadenylate binding protein Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania braziliensis polyadenylate-binding protein 1, putative Get druggable targets OG5_126795 All targets in OG5_126795
Schistosoma japonicum Embryonic polyadenylate-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Toxoplasma gondii polyadenylate binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Schistosoma mansoni polyadenylate binding protein Get druggable targets OG5_126795 All targets in OG5_126795
Trichomonas vaginalis RNA-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Entamoeba histolytica polyadenylate-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Trypanosoma brucei gambiense poly(A)-binding protein 1,PABP2 Get druggable targets OG5_126795 All targets in OG5_126795
Theileria parva polyadenylate binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Plasmodium yoelii polyA binding protein-related Get druggable targets OG5_126795 All targets in OG5_126795
Brugia malayi polyadenylate-binding protein 1 Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania major poly(A)-binding protein 3 Get druggable targets OG5_126795 All targets in OG5_126795
Candida albicans similar to PolyA Binding Protein Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania donovani poly(A)-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Cryptosporidium hominis poly(a)-binding protein fabm Get druggable targets OG5_126795 All targets in OG5_126795
Echinococcus granulosus polyadenylate binding protein Get druggable targets OG5_126795 All targets in OG5_126795
Babesia bovis polyadenylate binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
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 apurinic/apyrimidinic endonuclease, putative 0.0018 0.0476 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0476 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3292 0.3292
Loa Loa (eye worm) RNA binding protein 0.0062 0.3292 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0476 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0476 1
Schistosoma mansoni ap endonuclease 0.0018 0.0476 0.0476
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.3292 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0476 0.0476
Echinococcus multilocularis tar DNA binding protein 0.0062 0.3292 0.3292
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3292 0.3292
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0476 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0476 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0476 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0476 1
Echinococcus multilocularis geminin 0.0165 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0476 1
Brugia malayi RNA binding protein 0.0062 0.3292 1
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0476 0.1447
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0476 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3292 0.3292
Schistosoma mansoni hypothetical protein 0.0165 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0476 0.5
Echinococcus granulosus tar DNA binding protein 0.0062 0.3292 0.3292
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3292 0.3292
Toxoplasma gondii exonuclease III APE 0.0018 0.0476 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0476 0.5
Schistosoma mansoni hypothetical protein 0.0165 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0476 0.0476
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3292 0.3292
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.3292 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0476 1
Brugia malayi TAR-binding protein 0.0062 0.3292 1
Schistosoma mansoni ap endonuclease 0.0018 0.0476 0.0476
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0476 0.1447
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0476 0.5
Loa Loa (eye worm) TAR-binding protein 0.0062 0.3292 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.35 uM PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of translation initiation inhibitors (PABP). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2012, AID2030, AID435011, AID435018, AID449744, AID449751, AID449752] ChEMBL. No reference
IC50 (binding) > 100 uM PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of translation initiation inhibitors (eIF4H). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2014, AID2028, AID435011, AID435018, AID449744, AID449751, AID449752] ChEMBL. No reference
Potency (functional) 3.2944 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) 14.7157 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

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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