TDR Targets

Basic information

Technical information

TDR Targets ID: 829848
Name: methyl 2-[9-[(4-fluorophenyl)methyl]-4-methyl -2-oxo-8,10-dihydropyrano[6,5-f][1,3]benzoxaz in-3-yl]acetate
MW: 397.396 | Formula: C22H20FNO5
H donors: 0 H acceptors: 2 LogP: 2.9 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)Cc1c(=O)oc2c(c1C)ccc1c2CN(CO1)Cc1ccc(cc1)F
InChi: 1S/C22H20FNO5/c1-13-16-7-8-19-18(21(16)29-22(26)17(13)9-20(25)27-2)11-24(12-28-19)10-14-3-5-15(23)6-4-14/h3-8H,9-12H2,1-2H3
InChiKey: XOODNMCTKNFQHX-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

2-[9-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-8,10-dihydropyrano[6,5-f][1,3]benzoxazin-3-yl]acetic acid methyl ester
2-[9-(4-fluorobenzyl)-2-keto-4-methyl-8,10-dihydropyrano[6,5-f][1,3]benzoxazin-3-yl]acetic acid methyl ester
methyl 2-[9-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-8,10-dihydropyrano[6,5-f][1,3]benzoxazin-3-yl]ethanoate
ST5327609

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0068	0.2881	0.2881
Echinococcus multilocularis	cysteine protease	0.0068	0.2881	0.2881
Onchocerca volvulus		0.0068	0.2881	1
Plasmodium vivax	vivapain-2	0.0068	0.2881	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0146	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0056	0.1736	0.1736
Trypanosoma cruzi	major cysteine proteinase, putative	0.0069	0.2902	0.2902
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.0917	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.2881	1
Entamoeba histolytica	cysteine proteinase, putative	0.0047	0.0917	0.3182
Echinococcus granulosus	cathepsin b	0.0146	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0068	0.2881	1
Echinococcus granulosus	cathepsin b	0.0146	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0068	0.2881	1
Leishmania major	cysteine peptidase A (CPA)	0.0068	0.2881	0.1904
Entamoeba histolytica	cysteine proteinase, putative	0.0068	0.2881	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0068	0.2881	0.2881
Brugia malayi	Cathepsin L-like precursor	0.0068	0.2881	0.2881
Echinococcus multilocularis	cathepsin L cysteine protease	0.0068	0.2881	0.2881
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0068	0.2881	0.2162
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.2881	1
Leishmania major	cathepsin L-like protease	0.0068	0.2881	0.1904
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0068	0.2881	0.2881
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.2881	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.2881	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0068	0.2881	0.2162
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.7747	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0146	1	1
Brugia malayi	Cathepsin L-like precursor	0.0047	0.0917	0.0917
Schistosoma mansoni	cathepsin F (C01 family)	0.0068	0.2881	0.2881
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0068	0.2881	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.7747	1
Onchocerca volvulus		0.0068	0.2881	1
Onchocerca volvulus	Cathepsin L homolog	0.0068	0.2881	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0068	0.2881	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.2881	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0068	0.2881	1
Giardia lamblia	Cathepsin B precursor	0.0056	0.1736	0.5
Brugia malayi	Cathepsin L-like precursor	0.0068	0.2881	0.2881
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0047	0.0917	0.3182
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0068	0.2881	0.2881
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.2881	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0056	0.1736	0.1736
Loa Loa (eye worm)	cathepsin B	0.0056	0.1736	0.0902
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.2881	1
Leishmania major	cathepsin L-like protease	0.0068	0.2881	0.1904
Schistosoma mansoni	cathepsin F (C01 family)	0.0047	0.0917	0.0917
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0047	0.0917	0.0917
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0056	0.1736	0.6027
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0068	0.2881	1
Entamoeba histolytica	cysteine protease, putative	0.0068	0.2881	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0068	0.2881	1
Brugia malayi	Cathepsin L-like precursor	0.0068	0.2881	0.2881
Echinococcus granulosus	cathepsin l1	0.0068	0.2881	0.2881
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.7747	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.7747	1
Leishmania major	cathepsin L-like protease	0.0068	0.2881	0.1904
Brugia malayi	Papain family cysteine protease containing protein	0.0068	0.2881	0.2881
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.2881	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0068	0.2881	1
Entamoeba histolytica	cysteine proteinase, putative	0.0068	0.2881	1
Leishmania major	cathepsin L-like protease	0.0068	0.2881	0.1904
Loa Loa (eye worm)	cysteine protease	0.0068	0.2881	0.2162
Giardia lamblia	Cathepsin B precursor	0.0056	0.1736	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.2881	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0121	0.7747	0.7747
Trypanosoma cruzi	cruzipain precursor, putative	0.0121	0.7747	0.7747
Onchocerca volvulus		0.0068	0.2881	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0146	1	1
Leishmania major	cathepsin L-like protease	0.0068	0.2881	0.1904
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.2881	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0068	0.2881	1
Onchocerca volvulus	Cathepsin F homolog	0.0068	0.2881	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0146	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0068	0.2881	0.2881
Onchocerca volvulus		0.0068	0.2881	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.7747	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.7747	1
Onchocerca volvulus		0.0068	0.2881	1
Leishmania major	cathepsin L-like protease	0.0121	0.7747	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.2881	1
Loa Loa (eye worm)	hypothetical protein	0.0146	1	1
Brugia malayi	Cathepsin L-like precursor	0.0068	0.2881	0.2881
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.7747	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0121	0.7747	0.7747
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0068	0.2881	1
Onchocerca volvulus		0.0068	0.2881	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0068	0.2881	0.2881
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0068	0.2881	1
Loa Loa (eye worm)	ctsf protein	0.0068	0.2881	0.2162
Onchocerca volvulus		0.0068	0.2881	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.2881	0.2162
Loa Loa (eye worm)	fibroinase	0.0068	0.2881	0.2162
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0068	0.2881	1
Echinococcus multilocularis	cathepsin b	0.0146	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0146	1	1
Leishmania major	cathepsin L-like protease	0.0121	0.7747	1
Brugia malayi	Cathepsin L-like precursor	0.0068	0.2881	0.2881
Brugia malayi	cathepsin L-like precursor	0.0047	0.0917	0.0917
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.2881	1
Giardia lamblia	Cathepsin B precursor	0.0056	0.1736	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0121	0.7747	0.7747
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.7747	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0068	0.2881	0.2881
Onchocerca volvulus	Cathepsin L homolog	0.0068	0.2881	1
Echinococcus multilocularis	cysteine protease	0.0068	0.2881	0.2881
Toxoplasma gondii	cathepsin CPL	0.0068	0.2881	1
Plasmodium vivax	vivapain-2	0.0068	0.2881	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.2881	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.01	0.5783	0.5783
Echinococcus granulosus	cathepsin l1	0.0047	0.0917	0.0917
Brugia malayi	Cathepsin L-like precursor	0.0047	0.0917	0.0917
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.7747	1
Echinococcus multilocularis	cathepsin b	0.0146	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0068	0.2881	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.7747	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.2881	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0068	0.2881	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0056	0.1736	0.2241
Leishmania major	cathepsin L-like protease	0.0121	0.7747	1
Brugia malayi	Cathepsin L-like precursor	0.0068	0.2881	0.2881
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.7747	1

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 829848