TDR Targets

Basic information

Technical information

TDR Targets ID: 1459449
Name: 2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N- (3-morpholin-4-ylpropyl)acetamide
MW: 402.484 | Formula: C22H30N2O5
H donors: 1 H acceptors: 2 LogP: 2.5 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCCc1cc(=O)oc2c1c(OCC(=O)NCCCN1CCOCC1)cc(c2)C
InChi: 1S/C22H30N2O5/c1-3-5-17-14-21(26)29-19-13-16(2)12-18(22(17)19)28-15-20(25)23-6-4-7-24-8-10-27-11-9-24/h12-14H,3-11,15H2,1-2H3,(H,23,25)
InChiKey: IGTKCWZAMNNMAM-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-(7-methyl-2-oxo-4-propyl-chromen-5-yl)oxy-N-(3-morpholinopropyl)acetamide
2-[(7-methyl-2-oxo-4-propyl-5-chromenyl)oxy]-N-(3-morpholinopropyl)acetamide
2-(2-keto-7-methyl-4-propyl-chromen-5-yl)oxy-N-(3-morpholinopropyl)acetamide
2-(7-methyl-2-oxo-4-propyl-chromen-5-yl)oxy-N-(3-morpholin-4-ylpropyl)ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	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
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	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
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	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
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
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Probable amidase AmiA2 (aminohydrolase)	0.0073	0.083	0.1247
Brugia malayi	amidase	0.0608	0.7591	1
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0452	0.0316
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0144	0.0144
Echinococcus granulosus	transient receptor potential cation channel	0.0797	0.9985	1
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0073	0.083	0.0703
Leishmania major	hypothetical protein, conserved	0.0073	0.083	0.1247
Brugia malayi	MGC83647 protein	0.0025	0.0213	0.0281
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0073	0.083	0.0832
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0664	0.0875
Mycobacterium ulcerans	amidase	0.0073	0.083	0.1247
Trypanosoma brucei	lipase domain protein, putative	0.0147	0.1761	0.3126
Leishmania major	monoglyceride lipase, putative	0.0416	0.5164	1
Trypanosoma brucei	monoglyceride lipase, putative	0.0416	0.5164	1
Echinococcus granulosus	Phospholipase carboxylesterase	0.0025	0.0213	0.0213
Plasmodium falciparum	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0073	0.083	0.1247
Trypanosoma brucei	monoglyceride lipase, putative	0.0416	0.5164	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0147	0.1761	0.3126
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0601	0.0602
Loa Loa (eye worm)	hypothetical protein	0.006	0.0664	0.0875
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.0025	0.0213	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0213	0.0281
Toxoplasma gondii	hypothetical protein	0.0025	0.0213	0.5
Entamoeba histolytica	hypothetical protein	0.0043	0.0452	0.0483
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0416	0.5164	1
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0073	0.083	0.5
Loa Loa (eye worm)	amidase	0.0073	0.083	0.1094
Echinococcus granulosus	abhydrolase domain containing 3	0.0025	0.0213	0.0213
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0608	0.7591	0.7603
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0416	0.5164	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0423	0.0558
Plasmodium falciparum	lysophospholipase, putative	0.0416	0.5164	1
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0608	0.7591	0.7603
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0452	0.0453
Onchocerca volvulus		0.0147	0.1761	0.5
Leishmania major	hypothetical protein, conserved	0.0147	0.1761	0.3126
Trypanosoma brucei	lipase domain protein, putative	0.0147	0.1761	0.3126
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0601	0.0602
Mycobacterium tuberculosis	Probable amidase AmiC (aminohydrolase)	0.0073	0.083	0.1247
Plasmodium falciparum	lysophospholipase, putative	0.0416	0.5164	1
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.0416	0.5164	1
Mycobacterium ulcerans	amidase	0.0073	0.083	0.1247
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0416	0.5164	1
Mycobacterium tuberculosis	Possible lysophospholipase	0.0416	0.5164	1
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0144	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0608	0.7591	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0423	0.0286
Echinococcus multilocularis	monoacylglycerol lipase abhd12	0.0025	0.0213	0.0213
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0601	0.0601
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0601	0.0469
Echinococcus multilocularis	ankyrin repeat protein	0.0791	0.9903	0.9903
Trypanosoma cruzi	amidase, putative	0.0073	0.083	0.1247
Toxoplasma gondii	protein c14orf29, putative	0.0025	0.0213	0.5
Mycobacterium tuberculosis	Possible amidase (aminohydrolase)	0.0073	0.083	0.1247
Trichomonas vaginalis	lipase containing protein, putative	0.0147	0.1761	0.3126
Echinococcus granulosus	sn1 specific diacylglycerol lipase beta	0.0147	0.1761	0.1764
Brugia malayi	Amidase family protein	0.0073	0.083	0.1094
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.0073	0.083	0.0832
Schistosoma mansoni	transient receptor potential cation channel subfamily A member	0.0791	0.9903	1
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0608	0.7591	0.7591
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0144	0.0189
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0073	0.083	0.083
Echinococcus granulosus	monoacylglycerol lipase abhd12	0.0025	0.0213	0.0213
Echinococcus granulosus	ankyrin repeat protein	0.0791	0.9903	0.9918
Echinococcus granulosus	abhydrolase domain containing protein 13	0.0025	0.0213	0.0213
Toxoplasma gondii	phospholipase/carboxylesterase	0.0025	0.0213	0.5
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0416	0.5164	1
Brugia malayi	Amidase family protein	0.0073	0.083	0.1094
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0601	0.0469
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.0025	0.0213	0.0071
Brugia malayi	Lipase family protein	0.0147	0.1761	0.2319
Plasmodium vivax	glutamyl-tRNA(Gln) amidotransferase subunit A, putative	0.0073	0.083	0.1247
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.0073	0.083	0.083
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0416	0.5164	1
Plasmodium falciparum	lysophospholipase, putative	0.0416	0.5164	1
Brugia malayi	MGC79044 protein	0.0025	0.0213	0.0281
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0144	0.0189
Mycobacterium ulcerans	amidase	0.0073	0.083	0.1247
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0213	0.0281
Mycobacterium tuberculosis	Probable amidase AmiB2 (aminohydrolase)	0.0073	0.083	0.1247
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0416	0.5164	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0601	0.0601
Toxoplasma gondii	peptidase S15, putative	0.0025	0.0213	0.5
Echinococcus granulosus	GPCR family 2	0.0019	0.0144	0.0144
Trypanosoma cruzi	monoglyceride lipase, putative	0.0416	0.5164	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0452	0.0483
Brugia malayi	hypothetical protein	0.0043	0.0452	0.0596
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0601	0.0792
Brugia malayi	putative amidase	0.0073	0.083	0.1094
Plasmodium vivax	PST-A protein	0.0416	0.5164	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0664	0.0875
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0213	0.0281
Trichomonas vaginalis	conserved hypothetical protein	0.0416	0.5164	1
Brugia malayi	Protein C20orf22	0.0025	0.0213	0.0281
Echinococcus multilocularis	Phospholipase carboxylesterase	0.0025	0.0213	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0144	0.0189
Giardia lamblia	Cgi67 serine protease precursor-like protein	0.0025	0.0213	0.5
Entamoeba histolytica	hypothetical protein	0.0043	0.0452	0.0483
Leishmania major	hypothetical protein, conserved	0.0025	0.0213	0.00000029677
Entamoeba histolytica	hypothetical protein	0.0043	0.0452	0.0483
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0608	0.7591	0.7591
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0144	0.0144
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0144	0.0189
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0601	0.0469
Plasmodium falciparum	esterase, putative	0.0416	0.5164	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0452	0.0452
Mycobacterium ulcerans	amidase	0.0073	0.083	0.1247
Trypanosoma cruzi	amidase, putative	0.0073	0.083	0.1247
Schistosoma mansoni	hypothetical protein	0.0043	0.0452	0.0316
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0144	0.0144
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.0025	0.0213	0.0071
Toxoplasma gondii	esterase/lipase/thioesterase domain-containing protein	0.0025	0.0213	0.5
Toxoplasma gondii	hypothetical protein	0.0025	0.0213	0.5
Toxoplasma gondii	phospholipase	0.0025	0.0213	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0416	0.5164	1
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.0025	0.0213	0.5
Trichomonas vaginalis	lipase containing protein, putative	0.0147	0.1761	0.3126
Mycobacterium tuberculosis	Probable amidase AmiD (acylamidase) (acylase)	0.0073	0.083	0.1247
Trypanosoma cruzi	hypothetical protein, conserved	0.0147	0.1761	0.3126
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0073	0.083	0.5
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.0073	0.083	0.1247
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0144	0.0144
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0601	0.0792
Schistosoma mansoni	amidase	0.0608	0.7591	0.7631
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0423	0.0558
Schistosoma mansoni	peptidase	0.0025	0.0213	0.0071
Schistosoma mansoni	fatty-acid amide hydrolase	0.0608	0.7591	0.7631
Mycobacterium ulcerans	hypothetical protein	0.0416	0.5164	1
Mycobacterium ulcerans	amidase	0.0073	0.083	0.1247
Loa Loa (eye worm)	amidase	0.0073	0.083	0.1094
Mycobacterium ulcerans	lysophospholipase	0.0416	0.5164	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0213	0.0281
Toxoplasma gondii	hypothetical protein	0.0025	0.0213	0.5
Mycobacterium ulcerans	peptide amidase, GatA	0.0073	0.083	0.1247
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0416	0.5164	1
Echinococcus multilocularis	sn1 specific diacylglycerol lipase beta	0.0147	0.1761	0.1761
Echinococcus multilocularis	abhydrolase domain containing 3	0.0025	0.0213	0.0213
Mycobacterium ulcerans	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0073	0.083	0.1247
Schistosoma mansoni	fatty-acid amide hydrolase	0.0073	0.083	0.0703
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0073	0.083	1
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0416	0.5164	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0664	0.0875
Toxoplasma gondii	hypothetical protein	0.0025	0.0213	0.5
Loa Loa (eye worm)	lipase	0.0147	0.1761	0.2319
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0213	0.0281

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.2589 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)	4.6109 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	10.4179 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)	19.9526 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	32.6427 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1392002

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1459449