TDR Targets

Basic information

Technical information

TDR Targets ID: 1549365
Name: 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-mo rpholin-4-ylethyl)acetamide
MW: 360.404 | Formula: C19H24N2O5
H donors: 1 H acceptors: 2 LogP: 1.17 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(COc1ccc2c(c1C)oc(=O)cc2C)NCCN1CCOCC1
InChi: 1S/C19H24N2O5/c1-13-11-18(23)26-19-14(2)16(4-3-15(13)19)25-12-17(22)20-5-6-21-7-9-24-10-8-21/h3-4,11H,5-10,12H2,1-2H3,(H,20,22)
InChiKey: UESMYQFTBDOSSJ-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-(4,8-dimethyl-2-oxo-chromen-7-yl)oxy-N-(2-morpholinoethyl)acetamide
2-[(4,8-dimethyl-2-oxo-7-chromenyl)oxy]-N-(2-morpholinoethyl)acetamide
2-(2-keto-4,8-dimethyl-chromen-7-yl)oxy-N-(2-morpholinoethyl)acetamide
2-(4,8-dimethyl-2-oxo-chromen-7-yl)oxy-N-(2-morpholin-4-ylethyl)ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	heat shock protein 90	0.0055	0.1857	0.1857
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0161	0.0756
Leishmania major	heat shock protein 83-1	0.0055	0.1857	0.5888
Trichomonas vaginalis	heat shock protein, putative	0.0055	0.1857	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0161	0.0756
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0161	0.0161
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0055	0.1857	1
Echinococcus multilocularis	heat shock protein	0.0055	0.1857	0.1857
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1216	0.5721
Trypanosoma cruzi	heat shock protein 90, putative	0.0055	0.1857	0.6169
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1889	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.2126	1
Echinococcus multilocularis	endoplasmin	0.0043	0.1327	0.1327
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0161	0.0161
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1889	0.8885
Echinococcus granulosus	heat shock protein 90	0.0043	0.1327	0.1327
Loa Loa (eye worm)	endoplasmin	0.0055	0.1857	0.8736
Trichomonas vaginalis	endoplasmin, putative	0.0033	0.085	0.4575
Loa Loa (eye worm)	heat shock protein 90	0.0055	0.1857	0.8736
Schistosoma mansoni	heat shock protein	0.0055	0.1857	0.9832
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.1216	0.5721
Leishmania major	heat shock protein 83-1	0.0055	0.1857	0.5888
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0043	0.1327	0.4205
Trypanosoma brucei	heat shock protein, putative	0.0055	0.1857	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1889	1
Giardia lamblia	Grp94/Hsp90	0.0043	0.1327	0.7142
Trypanosoma brucei	heat shock protein, putative	0.0055	0.1857	1
Trichomonas vaginalis	heat shock protein, putative	0.0043	0.1327	0.7142
Loa Loa (eye worm)	hypothetical protein	0.006	0.2126	1
Leishmania major	heat shock protein 83-1	0.0055	0.1857	0.5888
Trypanosoma brucei	heat shock protein, putative	0.0055	0.1857	1
Toxoplasma gondii	heat shock protein 75, putative	0.0022	0.0319	0.1718
Loa Loa (eye worm)	heat shock protein 75	0.0022	0.0319	0.1501
Schistosoma mansoni	endoplasmin	0.0055	0.1857	0.9832
Leishmania major	heat shock protein, putative	0.0022	0.0319	0.1011
Leishmania major	heat shock protein 83-1	0.0055	0.1857	0.5888
Schistosoma mansoni	hypothetical protein	0.0041	0.1216	0.6439
Trypanosoma brucei	heat shock protein, putative	0.0055	0.1857	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0161	0.0851
Leishmania major	heat shock protein 83-1	0.0055	0.1857	0.5888
Toxoplasma gondii	heat shock protein 90, putative	0.0055	0.1857	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1889	0.8885
Plasmodium falciparum	heat shock protein 90	0.0055	0.1857	1
Leishmania major	heat shock protein 83-1	0.0055	0.1857	0.5888
Trypanosoma cruzi	Heat shock protein 83, putative	0.0055	0.1857	0.6169
Trypanosoma brucei	heat shock protein 90, putative	0.0055	0.1857	1
Entamoeba histolytica	heat shock protein 90, putative	0.0055	0.1857	1
Trypanosoma brucei	heat shock protein, putative	0.0055	0.1857	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0079	0.3011	1
Brugia malayi	Endoplasmin precursor	0.0055	0.1857	0.8736
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1889	0.1889
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1889	1
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0022	0.0319	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1889	0.1889
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0022	0.0319	0.0319
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0043	0.1327	0.7142
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.2126	1
Echinococcus granulosus	GPCR family 2	0.0019	0.0161	0.0161
Mycobacterium ulcerans	heat shock protein 90	0.0043	0.1327	0.5
Entamoeba histolytica	heat shock protein 90, putative	0.0055	0.1857	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0055	0.1857	0.6169
Trypanosoma brucei	heat shock protein 90, putative	0.0055	0.1857	1
Leishmania major	heat shock protein 83-1	0.0055	0.1857	0.5888
Schistosoma mansoni	endoplasmin	0.0055	0.1857	0.9832
Leishmania major	hypothetical protein, conserved	0.0082	0.3155	1
Trichomonas vaginalis	heat shock protein, putative	0.0043	0.1327	0.7142
Leishmania major	heat shock protein 83-1	0.0055	0.1857	0.5888
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0161	0.0161
Schistosoma mansoni	hypothetical protein	0.0019	0.0161	0.0851
Leishmania major	heat shock protein 83-1	0.0055	0.1857	0.5888
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0225	1	1
Echinococcus multilocularis	heat shock protein 90	0.0043	0.1327	0.1327
Echinococcus multilocularis	heat shock protein 90	0.0055	0.1857	0.1857
Plasmodium falciparum	endoplasmin, putative	0.0033	0.085	0.345
Leishmania major	heat shock protein 83-1	0.0055	0.1857	0.5888
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0161	0.0756
Leishmania major	heat shock protein 83-1	0.0055	0.1857	0.5888
Trypanosoma cruzi	heat shock protein 90, putative	0.0032	0.0789	0.2622
Trypanosoma brucei	heat shock protein 84, putative	0.0022	0.0319	0.1718
Trypanosoma brucei	heat shock protein, putative	0.0055	0.1857	1
Trichomonas vaginalis	heat shock protein, putative	0.0043	0.1327	0.7142
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.2126	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1889	0.1889
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0043	0.1327	0.5
Trypanosoma cruzi	heat shock protein 85, putative	0.0055	0.1857	0.6169
Plasmodium vivax	endoplasmin, putative	0.0055	0.1857	1
Trypanosoma brucei	Heat shock protein 83, putative	0.0055	0.1857	1
Trichomonas vaginalis	heat shock protein, putative	0.0022	0.0319	0.1718
Leishmania major	heat shock protein 83-1	0.0055	0.1857	0.5888
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0043	0.1327	0.5
Trypanosoma brucei	heat shock protein, putative	0.0055	0.1857	1
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0043	0.1327	0.5
Schistosoma mansoni	hypothetical protein	0.0019	0.0161	0.0851
Trypanosoma brucei	heat shock protein, putative	0.0055	0.1857	1
Toxoplasma gondii	heat shock protein HSP90	0.0055	0.1857	1
Schistosoma mansoni	heat shock protein	0.0022	0.0319	0.1689
Treponema pallidum	heat shock protein 90	0.0043	0.1327	0.5
Trypanosoma cruzi	heat shock protein 90, putative	0.0043	0.1327	0.4406
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0161	0.0161
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1889	0.1889
Toxoplasma gondii	Hsp90 domain-containing protein	0.0022	0.0319	0.1718
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0161	0.0756
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0043	0.1327	0.1327
Entamoeba histolytica	90 kDa heat shock protein, putative	0.0022	0.0319	0.1718
Trypanosoma cruzi	heat shock protein, putative	0.0022	0.0319	0.106
Plasmodium vivax	heat shock protein 86, putative	0.0055	0.1857	1
Leishmania major	heat shock protein 83-1	0.0055	0.1857	0.5888
Trichomonas vaginalis	heat shock protein, putative	0.0033	0.085	0.4575
Brugia malayi	heat shock protein 90	0.0055	0.1857	0.8736
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0161	0.0161
Schistosoma mansoni	heat shock protein	0.0055	0.1857	0.9832
Leishmania major	heat shock protein 83-1	0.0055	0.1857	0.5888
Echinococcus granulosus	heat shock protein	0.0055	0.1857	0.1857
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0022	0.0319	0.0319
Leishmania major	heat shock protein 83-1	0.0055	0.1857	0.5888
Trypanosoma cruzi	heat shock protein 85, putative	0.0055	0.1857	0.6169
Trypanosoma cruzi	heat shock protein 85, putative	0.0043	0.1327	0.4406
Brugia malayi	Hsp90 protein	0.0022	0.0319	0.1501
Schistosoma mansoni	hypothetical protein	0.0019	0.0161	0.0851
Leishmania major	heat shock protein 83-1	0.0055	0.1857	0.5888
Echinococcus granulosus	endoplasmin	0.0043	0.1327	0.1327
Leishmania major	heat shock protein 83-1	0.0055	0.1857	0.5888

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.4716 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
Potency (functional)	4.4668 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	21.1923 uM	PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory)	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

ChEMBL: CHEMBL1879572

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1549365