TDR Targets

Basic information

Technical information

TDR Targets ID: 1118882
Name: N-(3-chloro-4-morpholin-4-ylphenyl)-2-[3-cyan o-4-(methoxymethyl)-6-methyl-2-oxopyridin-1-y l]acetamide
MW: 430.885 | Formula: C21H23ClN4O4
H donors: 1 H acceptors: 3 LogP: 1.17 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COCc1cc(C)n(c(=O)c1C#N)CC(=O)Nc1ccc(c(c1)Cl)N1CCOCC1
InChi: 1S/C21H23ClN4O4/c1-14-9-15(13-29-2)17(11-23)21(28)26(14)12-20(27)24-16-3-4-19(18(22)10-16)25-5-7-30-8-6-25/h3-4,9-10H,5-8,12-13H2,1-2H3,(H,24,27)
InChiKey: GNOBIJSJEONJFW-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

N-(3-chloro-4-morpholino-phenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridyl]acetamide
N-(3-chloro-4-morpholinophenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridyl]acetamide
N-(3-chloro-4-morpholino-phenyl)-2-[3-cyano-2-keto-4-(methoxymethyl)-6-methyl-1-pyridyl]acetamide
N-(3-chloro-4-morpholin-4-yl-phenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-pyridin-1-yl]ethanamide
ASN 12665251

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
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
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
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	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
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
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

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium ulcerans	glycogen branching protein	0.0063	0.0511	0.1711
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0047	0.0336	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0106	0.1001	0.3505
Entamoeba histolytica	oligo-1,6-glucosidase, putative	0.0262	0.2775	1
Echinococcus granulosus	PHD finger protein rhinoceros	0.0032	0.0167	0.045
Schistosoma mansoni	alpha-amylase	0.0262	0.2775	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0039	0.0244	0.0201
Echinococcus granulosus	glucan 14 alpha branching enzyme 1	0.0063	0.0511	0.1711
Entamoeba histolytica	hypothetical protein	0.0063	0.0511	0.1711
Toxoplasma gondii	1,4-alpha-glucan-branching enzyme	0.0063	0.0511	1
Mycobacterium ulcerans	trehalose synthase TreS	0.0063	0.0511	0.1711
Schistosoma mansoni	alpha-amylase	0.0262	0.2775	1
Brugia malayi	PHD-finger family protein	0.0032	0.0167	0.0601
Brugia malayi	jmjC domain containing protein	0.0039	0.0244	0.0879
Trichomonas vaginalis	alpha-amylase, putative	0.0063	0.0511	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0047	0.0336	0.6257
Plasmodium falciparum	phd finger protein, putative	0.0032	0.0167	0.4962
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0428	0.1406
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.011	0.266
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.011	1
Loa Loa (eye worm)	alpha amylase	0.0262	0.2775	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0044	0.5
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0039	0.0244	0.0733
Brugia malayi	jmjC domain containing protein	0.0106	0.1001	0.3608
Brugia malayi	acetyltransferase, GNAT family protein	0.016	0.1623	0.585
Trichomonas vaginalis	alpha-amylase, putative	0.0063	0.0511	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.011	1
Entamoeba histolytica	alpha-amylase family protein	0.0063	0.0511	0.1711
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.011	0.2253
Onchocerca volvulus	Alhambra homolog	0.0032	0.0167	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.011	0.0241
Mycobacterium ulcerans	maltooligosyltrehalose synthase TreX	0.0063	0.0511	0.1711
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0032	0.0167	0.0123
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0044	0.0158
Echinococcus multilocularis	glucan (1,4 alpha), branching enzyme 1	0.0063	0.0511	0.0469
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0167	0.045
Giardia lamblia	PHD finger protein 15	0.0032	0.0167	0.2631
Mycobacterium ulcerans	maltooligosyltrehalose synthase TreY	0.0063	0.0511	0.1711
Loa Loa (eye worm)	alpha amylase	0.0262	0.2775	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0106	0.1001	0.0961
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0428	0.1406
Loa Loa (eye worm)	jmjC domain-containing protein	0.0039	0.0244	0.0733
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0428	0.1406
Entamoeba histolytica	1,4-alpha-glucan branching enzyme, putative	0.0063	0.0511	0.1711
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0032	0.0167	0.045
Schistosoma mansoni	alpha-amylase	0.0262	0.2775	1
Brugia malayi	Alpha amylase, catalytic domain containing protein	0.0262	0.2775	1
Echinococcus multilocularis	jumonji domain containing protein	0.0045	0.031	0.0268
Entamoeba histolytica	beta/alpha-amylase precursor, putative	0.0063	0.0511	0.1711
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0428	0.0386
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0156	0.1572	0.5596
Giardia lamblia	1,4-alpha-glucan branching enzyme	0.0063	0.0511	1
Mycobacterium tuberculosis	1,4-alpha-glucan branching enzyme GlgB (glycogen branching enzyme)	0.0063	0.0511	0.1711
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0047	0.0336	0.107
Loa Loa (eye worm)	PHD-finger family protein	0.0032	0.0167	0.045
Trichomonas vaginalis	alpha-amylase, putative	0.0063	0.0511	1
Schistosoma mansoni	jumonji domain containing protein	0.0084	0.0754	0.2601
Loa Loa (eye worm)	jmjC domain-containing protein	0.0067	0.0557	0.188
Echinococcus granulosus	lysine specific demethylase 5A	0.0039	0.0244	0.0733
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0511	0.1711
Entamoeba histolytica	alpha-amylase, putative	0.0063	0.0511	0.1711
Mycobacterium tuberculosis	Maltooligosyltrehalose trehalohydrolase TreZ	0.0063	0.0511	0.1711
Mycobacterium tuberculosis	Trehalose synthase TreS	0.0262	0.2775	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0.011	0.141
Mycobacterium ulcerans	maltooligosyltrehalose trehalohydrolase, TreZ	0.0063	0.0511	0.1711
Mycobacterium tuberculosis	Probable glucanase GlgE	0.0063	0.0511	0.1711
Echinococcus granulosus	peregrin	0.0036	0.0211	0.0614
Leishmania major	hypothetical protein, conserved	0.0027	0.011	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.0032	0.0167	0.2631
Plasmodium falciparum	histone acetyltransferase GCN5	0.0043	0.0292	1
Trichomonas vaginalis	alpha-amylase, putative	0.0063	0.0511	1
Brugia malayi	Alpha amylase, catalytic domain containing protein	0.0262	0.2775	1
Entamoeba histolytica	1,4-alpha-glucan branching enzyme, putative	0.0063	0.0511	0.1711
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0428	0.1406
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0047	0.0336	0.6257
Trichomonas vaginalis	starch branching enzyme II, putative	0.0063	0.0511	1
Trichomonas vaginalis	alpha-amylase, putative	0.0063	0.0511	1
Entamoeba histolytica	alpha-amylase family protein	0.0063	0.0511	0.1711
Schistosoma mansoni	alpha-amylase	0.0262	0.2775	1
Schistosoma mansoni	alpha-amylase	0.0262	0.2775	1
Loa Loa (eye worm)	acetyltransferase	0.016	0.1623	0.5783
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0039	0.0244	0.0733
Entamoeba histolytica	alpha-amylase family protein	0.0063	0.0511	0.1711
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0047	0.0336	0.6257
Trichomonas vaginalis	amylase, putative	0.0063	0.0511	1
Plasmodium vivax	hypothetical protein, conserved	0.0032	0.0167	0.4204
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0428	0.1406
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.011	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0429	0.1409
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0428	0.0386
Echinococcus multilocularis	trehalose 6 phosphate hydrolase	0.0063	0.0511	0.0469
Brugia malayi	1,4-alpha-glucan branching enzyme	0.0063	0.0511	0.1842
Trichomonas vaginalis	alpha-amylase, putative	0.0063	0.0511	1
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.016	0.1623	0.5783
Trichomonas vaginalis	conserved hypothetical protein	0.0063	0.0511	1
Toxoplasma gondii	glycosyltransferase	0.0063	0.0511	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0428	0.1541
Echinococcus multilocularis	alpha glucosidase	0.0262	0.2775	0.2743
Brugia malayi	hypothetical protein	0.0027	0.011	0.0396
Entamoeba histolytica	alpha-amylase family protein	0.0063	0.0511	0.1711
Trichomonas vaginalis	amylase, putative	0.0063	0.0511	1
Brugia malayi	Bromodomain containing protein	0.0036	0.0211	0.0762
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0047	0.0336	0.6257
Chlamydia trachomatis	glycogen hydrolase	0.0063	0.0511	0.5
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0.0044	0.5
Toxoplasma gondii	PHD-finger domain-containing protein	0.0032	0.0167	0.2631
Trichomonas vaginalis	amylase, putative	0.0063	0.0511	1
Mycobacterium ulcerans	trehalose synthase TreS	0.0262	0.2775	1
Trichomonas vaginalis	alpha-amylase, putative	0.0063	0.0511	1
Echinococcus granulosus	trehalose 6 phosphate hydrolase	0.0063	0.0511	0.1711
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.016	0.1623	0.1586
Schistosoma mansoni	hypothetical protein	0.0063	0.0511	0.1711
Trichomonas vaginalis	alpha-amylase, putative	0.0063	0.0511	1
Giardia lamblia	Histone acetyltransferase GCN5	0.0043	0.0292	0.5301
Mycobacterium tuberculosis	Probable alpha-glucosidase AglA (maltase) (glucoinvertase) (glucosidosucrase) (maltase-glucoamylase) (lysosomal alpha-glucosidas	0.0262	0.2775	1
Trichomonas vaginalis	alpha-amylase, putative	0.0063	0.0511	1
Trichomonas vaginalis	alpha-amylase, putative	0.0063	0.0511	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0167	0.045
Toxoplasma gondii	Alpha-amylase AMY3, putative	0.0063	0.0511	1
Echinococcus granulosus	alpha glucosidase	0.0262	0.2775	1
Mycobacterium leprae	Putative uncharacterized protein ML2045	0.0262	0.2775	0.5
Echinococcus granulosus	jumonji domain containing protein	0.0045	0.031	0.0976
Trichomonas vaginalis	alpha-amylase, putative	0.0063	0.0511	1
Mycobacterium ulcerans	glycosidase	0.0063	0.0511	0.1711
Schistosoma mansoni	starch branching enzyme II	0.0063	0.0511	0.1711
Mycobacterium tuberculosis	Maltooligosyltrehalose synthase TreY	0.0063	0.0511	0.1711
Trichomonas vaginalis	alpha-amylase, putative	0.0063	0.0511	1
Toxoplasma gondii	alpha amylase, catalytic domain-containing protein	0.0063	0.0511	1
Entamoeba histolytica	alpha-amylase, putative	0.0063	0.0511	0.1711
Trichomonas vaginalis	amylase, putative	0.0063	0.0511	1
Entamoeba histolytica	acetyltransferase, GNAT family	0.0043	0.0292	0.0907
Echinococcus multilocularis	peregrin	0.0036	0.0211	0.0168
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.011	0.266
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0428	0.1406
Trichomonas vaginalis	alpha-amylase, putative	0.0063	0.0511	1
Chlamydia trachomatis	1,4-alpha-glucan branching enzyme	0.0063	0.0511	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.2202 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)	25.1189 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1868898

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1118882