Detailed information for compound 1885214

Basic information

Technical information
  • TDR Targets ID: 1885214
  • Name: 6-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4H-1,4 -benzoxazin-3-one
  • MW: 313.735 | Formula: C17H12ClNO3
  • H donors: 1 H acceptors: 2 LogP: 3.27 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1COc2c(N1)cc(cc2)C(=O)/C=C/c1ccc(cc1)Cl
  • InChi: 1S/C17H12ClNO3/c18-13-5-1-11(2-6-13)3-7-15(20)12-4-8-16-14(9-12)19-17(21)10-22-16/h1-9H,10H2,(H,19,21)/b7-3+
  • InChiKey: AZBIDVJXCPZEKY-XVNBXDOJSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one
  • 6-[(E)-3-(4-chlorophenyl)acryloyl]-4H-1,4-benzoxazin-3-one
  • ZINC05335705

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
Plasmodium falciparum metacaspase-like protein 0.0029 0.1025 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0029 0.1025 0.3814
Loa Loa (eye worm) hypothetical protein 0.0143 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.086 0.3201
Onchocerca volvulus 0.0027 0.086 0.7805
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.086 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.005 0.2688 1
Plasmodium vivax metacaspase 1, putative 0.0029 0.1025 1
Echinococcus multilocularis cysteine protease 0.0027 0.086 0.086
Trypanosoma cruzi metacaspase, putative 0.0029 0.1025 0.1025
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.086 0.3201
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0029 0.1025 0.0902
Giardia lamblia Cathepsin B precursor 0.005 0.2688 0.5
Trypanosoma cruzi metacaspase 5, putative 0.0029 0.1025 0.1025
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.086 0.3201
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.005 0.2688 0.2688
Echinococcus multilocularis caspase 3 0.0079 0.4969 0.4969
Echinococcus granulosus caspase 3 0.0079 0.4969 0.4969
Loa Loa (eye worm) ctsf protein 0.0027 0.086 0.0603
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.086 0.3201
Echinococcus multilocularis cathepsin b 0.0143 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.086 0.3201
Trypanosoma brucei Metacaspase-4 0.0029 0.1025 0.3814
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0274 0.1018
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.086 0.3201
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0029 0.1025 0.1025
Echinococcus multilocularis cathepsin b 0.0143 1 1
Trypanosoma brucei metacaspase MCA3 0.0029 0.1025 0.3814
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.086 0.3201
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0274 0.3182
Brugia malayi Cathepsin L-like precursor 0.0019 0.0274 0.0274
Trypanosoma cruzi metacaspase 5, putative 0.0029 0.1025 0.1025
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.086 0.3201
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.086 0.3201
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.1025 0.3814
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0029 0.1025 0.3814
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0029 0.1025 0.3814
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.086 0.3201
Echinococcus multilocularis caspase 0.0108 0.7236 0.7236
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.1025 0.3814
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.086 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.086 0.3201
Trypanosoma brucei cysteine peptidase C (CPC) 0.005 0.2688 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0143 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.086 0.3201
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0143 1 1
Brugia malayi cathepsin L-like precursor 0.0019 0.0274 0.0274
Brugia malayi Cathepsin L-like precursor 0.0027 0.086 0.086
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.1025 0.3814
Plasmodium vivax hypothetical protein, conserved 0.0029 0.1025 1
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.086 0.086
Schistosoma mansoni cathepsin F (C01 family) 0.0027 0.086 0.086
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.086 0.3201
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0029 0.1025 0.3814
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.086 0.3201
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0027 0.086 0.0603
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0029 0.1025 0.3814
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.086 0.3201
Loa Loa (eye worm) hypothetical protein 0.0029 0.1025 0.0773
Echinococcus granulosus caspase 0.0108 0.7236 0.7236
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.086 0.3201
Brugia malayi Cathepsin L-like precursor 0.0027 0.086 0.086
Toxoplasma gondii cathepsin B 0.005 0.2688 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0027 0.086 0.086
Entamoeba histolytica cysteine proteinase, putative 0.0027 0.086 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.086 0.3201
Onchocerca volvulus 0.0027 0.086 0.7805
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0108 0.7236 0.7236
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0108 0.7236 0.7236
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.1025 0.3814
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0019 0.0274 0.0274
Trypanosoma cruzi metacaspase, putative 0.0029 0.1025 0.1025
Loa Loa (eye worm) cysteine protease 0.0027 0.086 0.0603
Onchocerca volvulus Cathepsin F homolog 0.0027 0.086 0.7805
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.086 0.3201
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.1025 0.3814
Brugia malayi Cathepsin L-like cysteine proteinase 0.0019 0.0274 0.0274
Onchocerca volvulus 0.0027 0.086 0.7805
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.086 0.3201
Echinococcus granulosus cathepsin L cysteine proteinase 0.0027 0.086 0.086
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0027 0.086 0.3201
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0274 0.0274
Brugia malayi Cathepsin L-like precursor 0.0027 0.086 0.086
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.086 0.086
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.086 0.086
Loa Loa (eye worm) fibroinase 0.0027 0.086 0.0603
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0029 0.1025 0.1025
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.086 0.3201
Loa Loa (eye worm) cathepsin B 0.005 0.2688 0.2482
Entamoeba histolytica cysteine proteinase, putative 0.0027 0.086 1
Echinococcus granulosus caspase 8 0.0029 0.1025 0.1025
Loa Loa (eye worm) hypothetical protein 0.0027 0.086 0.0603
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0027 0.086 0.8391
Brugia malayi Cathepsin L-like precursor 0.0027 0.086 0.086
Brugia malayi Cathepsin L-like precursor 0.0027 0.086 0.086
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.086 0.086
Onchocerca volvulus Cell death protein 3 homolog 0.0029 0.1025 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0027 0.086 0.086
Echinococcus multilocularis caspase 2 0.0029 0.1025 0.1025
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.005 0.2688 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0027 0.086 0.086
Schistosoma mansoni cathepsin F (C01 family) 0.0027 0.086 0.086
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0029 0.1025 0.3814
Echinococcus granulosus cathepsin l1 0.0019 0.0274 0.0274
Plasmodium vivax vivapain-2 0.0027 0.086 0.8391
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0143 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0027 0.086 0.086
Trypanosoma brucei metacaspase 0.0029 0.1025 0.3814
Plasmodium vivax vivapain-2 0.0027 0.086 0.8391
Echinococcus multilocularis caspase 8 0.0029 0.1025 0.1025
Brugia malayi Papain family cysteine protease containing protein 0.0027 0.086 0.086
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0029 0.1025 0.3814
Echinococcus multilocularis cysteine protease 0.0027 0.086 0.086
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.086 0.3201
Onchocerca volvulus Cathepsin L homolog 0.0027 0.086 0.7805
Loa Loa (eye worm) hypothetical protein 0.0029 0.1025 0.0773
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.086 0.3201
Trypanosoma cruzi cruzipain precursor, putative 0.0027 0.086 0.086
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0029 0.1025 0.3814
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.086 0.3201
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0029 0.1025 0.0902
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.086 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0027 0.086 0.3201
Echinococcus multilocularis cathepsin L cysteine protease 0.0027 0.086 0.086
Brugia malayi Cathepsin L-like precursor 0.0027 0.086 0.086
Onchocerca volvulus Cathepsin L homolog 0.0027 0.086 0.7805
Schistosoma mansoni caspase-7 (C14 family) 0.0029 0.1025 0.1025
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0029 0.1025 0.0902
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.086 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.086 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0274 0.1018
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.086 0.3201
Onchocerca volvulus 0.0027 0.086 0.7805
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.005 0.2688 0.2688
Onchocerca volvulus 0.0027 0.086 0.7805
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.086 0.3201
Echinococcus granulosus cathepsin l1 0.0027 0.086 0.086
Brugia malayi Cell death protein 3 precursor 0.0029 0.1025 0.1025
Trypanosoma cruzi metacaspase, putative 0.0029 0.1025 0.1025
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.086 0.3201
Echinococcus granulosus cathepsin b 0.0143 1 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0027 0.086 0.8391
Schistosoma mansoni caspase-3 (C14 family) 0.0108 0.7236 0.7236
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.086 0.3201
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0143 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.086 0.3201
Entamoeba histolytica cysteine protease, putative 0.0027 0.086 1
Echinococcus granulosus cathepsin b 0.0143 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0143 1 1
Leishmania major metacaspase, putative 0.0029 0.1025 0.0902
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0027 0.086 0.0603
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0027 0.086 0.8391
Echinococcus granulosus caspase 2 0.0029 0.1025 0.1025
Onchocerca volvulus 0.0027 0.086 0.7805
Trypanosoma brucei metacaspase 5, putative 0.0029 0.1025 0.3814
Schistosoma mansoni caspase-7 (C14 family) 0.0108 0.7236 0.7236
Giardia lamblia Cathepsin B precursor 0.005 0.2688 0.5
Trypanosoma brucei metacaspase MCA2 0.0029 0.1025 0.3814
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0029 0.1025 0.3814
Brugia malayi Cathepsin L-like precursor 0.0019 0.0274 0.0274
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.1025 0.3814
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.086 0.3201
Plasmodium falciparum metacaspase 1 0.0029 0.1025 1
Giardia lamblia Cathepsin B precursor 0.005 0.2688 0.5
Onchocerca volvulus 0.0027 0.086 0.7805
Trypanosoma cruzi metacaspase, putative 0.0029 0.1025 0.1025

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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