TDR Targets

Basic information

Technical information

TDR Targets ID: 1286777
Name: 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[3-(2 -oxopyrrolidin-1-yl)propyl]propanamide
MW: 386.442 | Formula: C21H26N2O5
H donors: 1 H acceptors: 3 LogP: 1.83 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(Oc1ccc2c(c1C)oc(=O)cc2C)C)NCCCN1CCCC1=O
InChi: 1S/C21H26N2O5/c1-13-12-19(25)28-20-14(2)17(8-7-16(13)20)27-15(3)21(26)22-9-5-11-23-10-4-6-18(23)24/h7-8,12,15H,4-6,9-11H2,1-3H3,(H,22,26)
InChiKey: OHTSLANPOODUIA-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-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
2-[(4,8-dimethyl-2-oxo-7-chromenyl)oxy]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]propanamide
2-(2-keto-4,8-dimethyl-chromen-7-yl)oxy-N-[3-(2-ketopyrrolidin-1-yl)propyl]propionamide

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	guanine nucleotide binding protein Gs 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
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 multilocularis	guanine nucleotide binding protein G(s) 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
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
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
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0181	0.0343
Onchocerca volvulus		0.0042	0.0506	0.1047
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.007	0.1116	0.1116
Trypanosoma brucei	proteasome complex subunit Rpn13 ubiquitin receptor, putative	0.0041	0.047	0.5
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0025	0.013	0.0197
Brugia malayi	mbt repeat family protein	0.0053	0.0739	0.1404
Echinococcus granulosus	SAM and MBT domain containing protein	0.0053	0.0739	0.0739
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0209	0.4136	0.4136
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0192	0.0364
Leishmania major	hypothetical protein, conserved	0.0136	0.2545	0.5
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.004	0.0454	0.0454
Schistosoma mansoni	myelin transcription factor 1 myt1	0.006	0.0899	0.1361
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0253	0.5097	0.5097
Schistosoma mansoni	adhesion regulating molecule 1 (110 kD cell membrane glycoprotein)	0.026	0.5268	0.7974
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0739	0.1404
Trypanosoma cruzi	proteasome complex subunit Rpn13 ubiquitin receptor, putative	0.0041	0.047	0.5
Echinococcus multilocularis	Polycystic kidney disease protein	0.0042	0.0506	0.0506
Loa Loa (eye worm)	mbt repeat family protein	0.0053	0.0739	0.1404
Schistosoma mansoni	lamin	0.0028	0.0192	0.029
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0506	0.096
Giardia lamblia	Histone acetyltransferase GCN5	0.0043	0.0531	0.5
Schistosoma mansoni	hypothetical protein	0.0322	0.6606	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0898	0.1705
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.079	0.1195
Trichomonas vaginalis	bromodomain-containing protein, putative	0.005	0.0674	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0898	0.1705
Brugia malayi	intermediate filament protein	0.0028	0.0192	0.0364
Loa Loa (eye worm)	hypothetical protein	0.006	0.0898	0.1705
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.079	0.079
Schistosoma mansoni	rab6-interacting	0.0042	0.0506	0.0766
Schistosoma mansoni	loxhd1	0.0042	0.0506	0.0766
Echinococcus multilocularis	lamin	0.0028	0.0192	0.0192
Trypanosoma cruzi	proteasome complex subunit Rpn13 ubiquitin receptor, putative	0.0041	0.047	0.5
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0513	0.0975
Echinococcus granulosus	adhesion regulating molecule 1	0.026	0.5268	0.5268
Schistosoma mansoni	rab6-interacting	0.0042	0.0506	0.0766
Schistosoma mansoni	hypothetical protein	0.0042	0.0506	0.0766
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0042	0.0506	0.0506
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.006	0.0899	0.0899
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.079	0.079
Plasmodium vivax	multidomain scavenger receptor, putative	0.0042	0.0506	0.1779
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0253	0.5097	0.5097
Brugia malayi	Adhesion regulating molecule conserved region family protein	0.026	0.5268	1
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.005	0.0674	1
Loa Loa (eye worm)	hypothetical protein	0.026	0.5268	1
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0192	0.0364
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0053	0.0739	0.0739
Echinococcus granulosus	lipoxygenase domain containing protein	0.0042	0.0506	0.0506
Entamoeba histolytica	acetyltransferase, GNAT family	0.0043	0.0531	0.5
Schistosoma mansoni	hypothetical protein	0.0023	0.0084	0.0127
Onchocerca volvulus	Proteasomal ubiquitin receptor ADRM1 homolog	0.0165	0.3193	1
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0192	0.029
Brugia malayi	PHD-finger family protein	0.0032	0.0274	0.0519
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.079	0.1195
Trypanosoma brucei	proteasome complex subunit Rpn13 ubiquitin receptor, putative	0.0041	0.047	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.079	0.1499
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.006	0.0899	0.1707
Loa Loa (eye worm)	doublecortin family protein	0.0042	0.0506	0.096
Brugia malayi	Bromodomain containing protein	0.0087	0.1487	0.2822
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0053	0.0739	0.1119
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.006	0.0899	0.0899
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0042	0.0506	0.0506
Schistosoma mansoni	lipoxygenase	0.0177	0.3438	0.5204
Echinococcus multilocularis	adhesion regulating molecule 1	0.026	0.5268	0.5268
Loa Loa (eye worm)	hypothetical protein	0.006	0.0899	0.1707
Echinococcus multilocularis	musashi	0.0028	0.0192	0.0192
Echinococcus granulosus	intermediate filament protein	0.0028	0.0192	0.0192
Echinococcus granulosus	lipoxygenase domain containing protein	0.0042	0.0506	0.0506
Schistosoma mansoni	lamin	0.0028	0.0192	0.029
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0209	0.4136	0.4136
Trypanosoma cruzi	proteasome complex subunit Rpn13 ubiquitin receptor, putative	0.0041	0.047	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0192	0.0364
Loa Loa (eye worm)	MBCTL1	0.006	0.0899	0.1707
Brugia malayi	hypothetical protein	0.0042	0.0506	0.096
Brugia malayi	mbt repeat family protein	0.0053	0.0739	0.1404
Schistosoma mansoni	hypothetical protein	0.0041	0.0482	0.073
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0482	0.0916
Echinococcus multilocularis	polycomb protein SCMH1	0.0053	0.0739	0.0739
Schistosoma mansoni	zinc finger protein	0.0026	0.0144	0.0219
Echinococcus granulosus	lamin dm0	0.0028	0.0192	0.0192
Echinococcus multilocularis	RUN	0.0042	0.0506	0.0506
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.079	0.079
Echinococcus multilocularis	histone acetyltransferase MYST2	0.006	0.0899	0.0899
Brugia malayi	acetyltransferase, GNAT family protein	0.0163	0.3152	0.5983
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.005	0.0674	0.5
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0156	0.2996	0.2996
Onchocerca volvulus		0.0053	0.0739	0.1825
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0053	0.0739	0.1825
Trypanosoma cruzi	proteasome complex subunit Rpn13 ubiquitin receptor, putative	0.0041	0.047	0.5
Echinococcus granulosus	histone acetyltransferase MYST2	0.006	0.0899	0.0899
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0025	0.013	0.013
Echinococcus granulosus	RUN	0.0042	0.0506	0.0506
Loa Loa (eye worm)	hypothetical protein	0.0078	0.1297	0.2462
Plasmodium falciparum	histone acetyltransferase GCN5	0.0043	0.0531	0.0121
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0482	0.0916
Echinococcus granulosus	Polycystic kidney disease protein	0.0042	0.0506	0.0506
Echinococcus multilocularis	lamin dm0	0.0028	0.0192	0.0192
Brugia malayi	hypothetical protein	0.0042	0.0506	0.096
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0163	0.3152	0.3152
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.007	0.1116	0.1116
Schistosoma mansoni	sex comb on midleg homolog	0.0053	0.0739	0.1119
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0898	0.1705
Echinococcus multilocularis	zinc finger protein	0.0026	0.0144	0.0144
Loa Loa (eye worm)	PHD-finger family protein	0.0023	0.0084	0.0159
Echinococcus granulosus	histone acetyltransferase KAT2B	0.005	0.0674	0.0674
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0163	0.3152	0.4771
Brugia malayi	Bromodomain containing protein	0.0046	0.0598	0.1135
Schistosoma mansoni	sex comb on midleg homolog	0.0053	0.0739	0.1119
Echinococcus granulosus	lamin	0.0028	0.0192	0.0192
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0703	0.1335
Brugia malayi	Doublecortin family protein	0.0042	0.0506	0.096
Schistosoma mansoni	bromodomain containing protein	0.0074	0.1203	0.1821
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.079	0.1499
Loa Loa (eye worm)	bromodomain containing protein	0.0024	0.0098	0.0186
Echinococcus granulosus	zinc finger protein	0.0026	0.0144	0.0144
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0192	0.0364
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.079	0.1195
Echinococcus granulosus	fetal alzheimer antigen falz	0.0025	0.013	0.013
Plasmodium falciparum	26S proteasome regulatory subunit RPN13, putative	0.0136	0.2545	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.079	0.079
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0657	0.1247
Onchocerca volvulus		0.0042	0.0506	0.1047
Schistosoma mansoni	lipoxygenase	0.0253	0.5097	0.7715
Schistosoma mansoni	polycystin 1-related	0.0042	0.0506	0.0766
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0506	0.096
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.004	0.0454	0.0454
Toxoplasma gondii	adhesion regulating molecule region protein, putative	0.026	0.5268	1
Echinococcus granulosus	polycomb protein SCMH1	0.0053	0.0739	0.0739
Loa Loa (eye worm)	acetyltransferase	0.0163	0.3152	0.5983

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (binding)	30 uM	PubChem BioAssay. MLPCN SirT-5 Measured in Biochemical System Using Imaging - 7044-01_Inhibitor_Dose_CherryPick_Activity_Set5. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 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)	14.1254 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939]	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

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

ChEMBL: CHEMBL1404637

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 1286777