TDR Targets

Basic information

Technical information

TDR Targets ID: 829932
Name: methyl 2-[3-[(4-chlorophenyl)methyl]-6,10-dim ethyl-8-oxo-2,4-dihydropyrano[5,6-g][1,3]benz oxazin-7-yl]acetate
MW: 427.877 | Formula: C23H22ClNO5
H donors: 0 H acceptors: 2 LogP: 3.79 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)OCN(C1)Cc1ccc(cc1)Cl
InChi: 1S/C23H22ClNO5/c1-13-18-8-16-11-25(10-15-4-6-17(24)7-5-15)12-29-21(16)14(2)22(18)30-23(27)19(13)9-20(26)28-3/h4-8H,9-12H2,1-3H3
InChiKey: LYXJIBBJNHVPDG-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-[3-[(4-chlorophenyl)methyl]-6,10-dimethyl-8-oxo-2,4-dihydropyrano[5,6-g][1,3]benzoxazin-7-yl]acetic acid methyl ester
2-[3-(4-chlorobenzyl)-8-keto-6,10-dimethyl-2,4-dihydropyrano[5,6-g][1,3]benzoxazin-7-yl]acetic acid methyl ester
methyl 2-[3-[(4-chlorophenyl)methyl]-6,10-dimethyl-8-oxo-2,4-dihydropyrano[5,6-g][1,3]benzoxazin-7-yl]ethanoate
ST5327719

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
Onchocerca volvulus		0.003	0.0461	0.0567
Schistosoma mansoni	hypothetical protein	0.0139	0.4183	0.7999
Schistosoma mansoni	cercarial elastase (S01 family)	0.0139	0.4183	0.7999
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0052	0.1194	0.1148
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0139	0.4183	0.7999
Loa Loa (eye worm)	hypothetical protein	0.003	0.0461	0.1032
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0142	0.4304	0.4373
Onchocerca volvulus		0.0139	0.4183	1
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0237	0.0424
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0237	0.0424
Mycobacterium ulcerans	hypothetical protein	0.0139	0.4183	0.8608
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0237	0.0156
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0139	0.4183	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0237	0.0424
Echinococcus granulosus	glycoprotein Antigen 5	0.0139	0.4183	0.7999
Schistosoma mansoni	cercarial elastase (S01 family)	0.0139	0.4183	0.7999
Echinococcus granulosus	m phase inducer phosphatasecdc25	0.003	0.0461	0.0731
Schistosoma mansoni	m-phase inducer phosphatase(cdc25)	0.003	0.0461	0.0731
Trichomonas vaginalis	cdc25b, putative	0.003	0.0461	0.0377
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0989	0.2303
Loa Loa (eye worm)	trypsin family protein	0.0139	0.4183	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0139	0.4183	0.7999
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0989	0.1761
Loa Loa (eye worm)	hypothetical protein	0.003	0.0461	0.1032
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0237	0.0424
Entamoeba histolytica	rodhanase-like domain containing protein	0.003	0.0461	0.0377
Echinococcus multilocularis	transmembrane protease serine 3	0.0139	0.4183	0.7999
Echinococcus multilocularis	Mastin	0.0139	0.4183	0.7999
Brugia malayi	hypothetical protein	0.0139	0.4183	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0139	0.4183	0.7999
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0139	0.4183	0.7999
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0237	0.0152
Schistosoma mansoni	cercarial elastase (S01 family)	0.0139	0.4183	0.7999
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0237	0.0493
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0237	0.0367
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.003	0.0461	0.0377
Loa Loa (eye worm)	hypothetical protein	0.0139	0.4183	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0989	0.1761
Entamoeba histolytica	rodhanase-like domain containing protein	0.003	0.0461	0.0377
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0042	0.0877	0.0819
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0237	0.0489
Brugia malayi	Trypsin family protein	0.0139	0.4183	1
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0139	0.4183	0.7999
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0139	0.4183	0.7999
Schistosoma mansoni	cercarial elastase (S01 family)	0.0139	0.4183	0.7999
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0237	0.0493
Brugia malayi	Rhodanese-like domain containing protein	0.003	0.0461	0.0913
Onchocerca volvulus		0.0139	0.4183	1
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0139	0.4183	0.7999
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0237	0.0152
Echinococcus multilocularis	m phase inducer phosphatase(cdc25)	0.003	0.0461	0.0731
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0087	0.5
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0301	0.9729	1
Leishmania major	mitochondrial DNA polymerase beta	0.0301	0.9729	1
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0087	0.0112
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.003	0.0461	0.0377
Echinococcus granulosus	Mastin	0.0139	0.4183	0.7999
Echinococcus multilocularis	enteropeptidase	0.0139	0.4183	0.7999
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0237	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0139	0.4183	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0139	0.4183	0.7999
Onchocerca volvulus		0.003	0.0461	0.0567
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0237	0.0424
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0237	0.0152
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0139	0.4183	0.7999
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0139	0.4183	0.7999
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0301	0.9729	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0033	0.0068
Trichomonas vaginalis	pps1 dual specificty phosphatase, putative	0.0309	1	1
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.0877	0.0819
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0989	0.2202
Echinococcus multilocularis	geminin	0.0169	0.5208	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0033	0.5
Onchocerca volvulus		0.0139	0.4183	1
Echinococcus multilocularis	glycoprotein Antigen 5	0.0139	0.4183	0.7999
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.003	0.0461	0.0377
Schistosoma mansoni	cercarial elastase (S01 family)	0.0139	0.4183	0.7999
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.003	0.0461	0.0377
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0042	0.0877	0.0819
Onchocerca volvulus		0.003	0.0461	0.0567
Brugia malayi	Trypsin-like protease protein 5	0.0139	0.4183	1
Loa Loa (eye worm)	hypothetical protein	0.0139	0.4183	1
Onchocerca volvulus		0.0139	0.4183	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0139	0.4183	0.7999
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0237	0.0156
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0158	0.4854	1
Onchocerca volvulus		0.003	0.0461	0.0567
Schistosoma mansoni	cercarial elastase (S01 family)	0.0139	0.4183	0.7999
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0237	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0237	0.0493
Loa Loa (eye worm)	hypothetical protein	0.0139	0.4183	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0139	0.4183	0.7999
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0237	0.0424
Schistosoma mansoni	hypothetical protein	0.0139	0.4183	0.7999
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0139	0.4183	0.7999
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0237	0.0156
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0989	0.1761
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0237	0.0489
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0237	0.0424
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0989	0.1761
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0381	0.0837
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0087	0.013
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0142	0.4304	0.4373
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0087	0.013
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0237	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.4183	1
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0139	0.4183	0.7999
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.0877	0.0819
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0142	0.4304	0.4373
Entamoeba histolytica	rodhanase-like domain containing protein	0.003	0.0461	0.0377
Brugia malayi	Rhodanese-like domain containing protein	0.003	0.0461	0.0913
Schistosoma mansoni	cercarial elastase (S01 family)	0.0139	0.4183	0.7999
Schistosoma mansoni	hypothetical protein	0.0169	0.5208	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0989	0.1761
Trichomonas vaginalis	cdc25c, putative	0.003	0.0461	0.0377
Brugia malayi	Trypsin family protein	0.0139	0.4183	1
Echinococcus granulosus	enteropeptidase	0.0139	0.4183	0.7999
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0087	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0139	0.4183	1
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0033	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0237	0.0367
Toxoplasma gondii	hypothetical protein	0.0049	0.109	0.5
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0139	0.4183	0.7999
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0381	0.0837
Onchocerca volvulus		0.0139	0.4183	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0989	0.1761
Loa Loa (eye worm)	hypothetical protein	0.0139	0.4183	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0989	0.1761
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0301	0.9729	1
Schistosoma mansoni	hypothetical protein	0.0169	0.5208	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0087	0.0179
Trichomonas vaginalis	cdc25b, putative	0.003	0.0461	0.0377
Mycobacterium ulcerans	hypothetical protein	0.0158	0.4854	1
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.003	0.0461	0.0377
Brugia malayi	Trypsin family protein	0.0139	0.4183	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0033	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0139	0.4183	0.7999
Onchocerca volvulus		0.0139	0.4183	1
Echinococcus granulosus	transmembrane protease serine 3	0.0139	0.4183	0.7999
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0237	0.5
Echinococcus granulosus	geminin	0.0169	0.5208	1
Brugia malayi	Trypsin family protein	0.0139	0.4183	1
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0087	0.0179

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 829932