TDR Targets

Basic information

Technical information

TDR Targets ID: 1298947
Name: 6-methoxy-4-(morpholin-4-ylmethyl)chromen-2-o ne
MW: 275.3 | Formula: C15H17NO4
H donors: 0 H acceptors: 1 LogP: 0.89 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)c(CN1CCOCC1)cc(=O)o2
InChi: 1S/C15H17NO4/c1-18-12-2-3-14-13(9-12)11(8-15(17)20-14)10-16-4-6-19-7-5-16/h2-3,8-9H,4-7,10H2,1H3
InChiKey: SQROKFLDTKKJIF-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

6-methoxy-4-(morpholinomethyl)chromen-2-one
6-methoxy-4-(morpholinomethyl)-2-chromenone
6-methoxy-4-(morpholinomethyl)coumarin
6-methoxy-4-(morpholin-4-ylmethyl)-2H-chromen-2-one
MLS001000632
SMR000498892

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948

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
Echinococcus granulosus	mothers against decapentaplegic 6	0.0023	0.0069	0.0208
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0358	0.1074
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0358	0.5
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0358	0.0995
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0358	0.5
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1264	0.1264
Echinococcus granulosus	mothers against decapentaplegic 2	0.0023	0.0069	0.0208
Brugia malayi	MH1 domain containing protein	0.0028	0.0143	0.0143
Schistosoma mansoni	Smad4	0.0023	0.0069	0.0208
Brugia malayi	latrophilin 2 splice variant baaae	0.0075	0.0787	0.0787
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0023	0.0069	0.0208
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0051	0.0455	0.1366
Entamoeba histolytica	hypothetical protein	0.0259	0.3331	0.5
Schistosoma mansoni	smad1 5 8 and	0.0051	0.0455	0.1366
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0202	0.2549	0.2549
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0259	0.3331	1
Echinococcus granulosus	GPCR family 2	0.0035	0.0234	0.0703
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0358	0.0358
Schistosoma mansoni	smad1 5 8 and	0.0051	0.0455	0.1366
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0358	0.0995
Brugia malayi	beta-lactamase	0.0043	0.0358	0.0358
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0358	0.0358
Schistosoma mansoni	Smad4	0.0023	0.0069	0.0208
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.3594	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0358	0.0358
Loa Loa (eye worm)	MH2 domain-containing protein	0.0051	0.0455	0.0455
Brugia malayi	RNA recognition motif domain containing protein	0.0202	0.2549	0.2549
Schistosoma mansoni	tar DNA-binding protein	0.0202	0.2549	0.7652
Brugia malayi	hypothetical protein	0.0259	0.3331	0.3331
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0358	0.1074
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0358	0.0358
Brugia malayi	MH1 domain containing protein	0.0051	0.0455	0.0455
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0051	0.0455	0.1366
Schistosoma mansoni	tar DNA-binding protein	0.0202	0.2549	0.7652
Loa Loa (eye worm)	TAR-binding protein	0.0202	0.2549	0.2549
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0358	0.5
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0358	0.0995
Entamoeba histolytica	hypothetical protein	0.0259	0.3331	0.5
Brugia malayi	N-terminal motif family protein	0.0191	0.239	0.239
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0109	0.1264	0.1264
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0035	0.0234	0.0703
Brugia malayi	beta-lactamase family protein	0.0043	0.0358	0.0358
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0358	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0035	0.0234	0.0234
Schistosoma mansoni	hypothetical protein	0.0035	0.0234	0.0703
Echinococcus granulosus	Smad4	0.0051	0.0455	0.1366
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0109	0.1264	0.1264
Loa Loa (eye worm)	MH1 domain-containing protein	0.0023	0.0069	0.0069
Loa Loa (eye worm)	RNA binding protein	0.0202	0.2549	0.2549
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0143	0.0143
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0035	0.0234	0.0234
Loa Loa (eye worm)	transcription factor SMAD2	0.0742	1	1
Echinococcus granulosus	tar DNA binding protein	0.0202	0.2549	0.7652
Loa Loa (eye worm)	MH1 domain-containing protein	0.0051	0.0455	0.0455
Brugia malayi	MH2 domain containing protein	0.0051	0.0455	0.0455
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0035	0.0234	0.0234
Loa Loa (eye worm)	MH2 domain-containing protein	0.0023	0.0069	0.0069
Schistosoma mansoni	hypothetical protein	0.0035	0.0234	0.0703
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0234	0.0234
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0035	0.0234	0.0703
Schistosoma mansoni	hypothetical protein	0.0075	0.0787	0.2364
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0358	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0358	0.0358
Leishmania major	hypothetical protein, conserved	0.0043	0.0358	1
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0191	0.239	1
Schistosoma mansoni	smad	0.0023	0.0069	0.0208
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0018	0	0.5
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0023	0.0069	0.0208
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0358	0.0995
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0358	0.5
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0358	0.0995
Echinococcus multilocularis	GPCR, family 2	0.0035	0.0234	0.0703
Schistosoma mansoni	hypothetical protein	0.0035	0.0234	0.0703
Echinococcus granulosus	mothers against decapentaplegic 5	0.0051	0.0455	0.1366
Brugia malayi	MH2 domain containing protein	0.0051	0.0455	0.0455
Schistosoma mansoni	hypothetical protein	0.0035	0.0234	0.0703
Loa Loa (eye worm)	hypothetical protein	0.0191	0.239	0.239
Schistosoma mansoni	tar DNA-binding protein	0.0202	0.2549	0.7652
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0358	0.0358
Echinococcus granulosus	smad	0.0051	0.0455	0.1366
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0358	0.0358
Schistosoma mansoni	transcription factor LCR-F1	0.0259	0.3331	1
Mycobacterium ulcerans	lipase LipD	0.0043	0.0358	0.5
Brugia malayi	MH1 domain containing protein	0.0028	0.0143	0.0143
Brugia malayi	beta-lactamase family protein	0.0043	0.0358	0.0358
Echinococcus multilocularis	tar DNA binding protein	0.0202	0.2549	0.7652
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0035	0.0234	0.0703
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0069	0.0069
Brugia malayi	RNA binding protein	0.0202	0.2549	0.2549
Loa Loa (eye worm)	MH2 domain-containing protein	0.0742	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0358	0.0358
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0358	0.5
Brugia malayi	MH1 domain containing protein	0.0051	0.0455	0.0455
Schistosoma mansoni	Smad4	0.0051	0.0455	0.1366
Entamoeba histolytica	hypothetical protein	0.0259	0.3331	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0202	0.2549	0.7652
Brugia malayi	TAR-binding protein	0.0202	0.2549	0.2549
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0358	0.0358
Onchocerca volvulus		0.0043	0.0358	0.1243
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0358	0.1074
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0051	0.0455	0.1366
Schistosoma mansoni	tar DNA-binding protein	0.0202	0.2549	0.7652
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0358	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0035	0.0234	0.0703
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0358	0.0995
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0358	1
Loa Loa (eye worm)	nuclear factor I	0.0028	0.0143	0.0143
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0358	0.0995
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0358	0.5
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0358	0.5
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0358	0.0995
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0358	0.0995
Brugia malayi	Smad1	0.0051	0.0455	0.0455
Echinococcus multilocularis	Smad4	0.0051	0.0455	0.1366
Loa Loa (eye worm)	Smad1	0.0051	0.0455	0.0455
Brugia malayi	MH2 domain containing protein	0.0023	0.0069	0.0069
Onchocerca volvulus		0.0043	0.0358	0.1243
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0358	0.1074
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0787	0.0787
Schistosoma mansoni	hypothetical protein	0.0259	0.3331	1
Schistosoma mansoni	smad1 5 8 and	0.0051	0.0455	0.1366
Entamoeba histolytica	hypothetical protein	0.0259	0.3331	0.5
Toxoplasma gondii	ABC1 family protein	0.0043	0.0358	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0358	0.0995
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0358	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0358	1
Schistosoma mansoni	smad	0.0051	0.0455	0.1366
Trichomonas vaginalis	esterase, putative	0.0043	0.0358	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0358	0.5
Onchocerca volvulus		0.0043	0.0358	0.1243
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0051	0.0455	0.1366
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0259	0.3331	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0358	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0109	0.1264	0.1264
Brugia malayi	mothers against decapentaplegic homolog 3	0.0023	0.0069	0.0069
Echinococcus multilocularis	smad	0.0051	0.0455	0.1366

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.5858 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)	= 2.8184 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	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: CHEMBL1418065

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 1298947