TDR Targets

Basic information

Technical information

TDR Targets ID: 27543
Name: 2,2-dimethyl-4,6-dihydro-3H-pyrano[3,2-c]quin olin-5-one
MW: 229.274 | Formula: C14H15NO2
H donors: 1 H acceptors: 2 LogP: 3.15 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: Oc1nc2ccccc2c2c1CCC(O2)(C)C
InChi: 1S/C14H15NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-6H,7-8H2,1-2H3,(H,15,16)
InChiKey: VXYKYULZMGGKJT-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

2,2-dimethyl-4,6-dihydro-3H-pyrano[5,6-c]quinolin-5-one
2,2-Dimethyl-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-ol
5H-Pyrano[3,2-c]quinolin-5-one, 2,3,4,6-tetrahydro-2,2-dimethyl-
Oprea1_607083

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0067	0.0837	0.1791
Onchocerca volvulus		0.0043	0.0286	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0286	0.5
Trichomonas vaginalis	esterase, putative	0.0043	0.0286	0.5
Echinococcus granulosus	GPCR family 2	0.0067	0.0837	0.0837
Echinococcus multilocularis	neuropeptide receptor A26	0.0451	1	1
Schistosoma mansoni	hypothetical protein	0.0043	0.0285	0.1065
Schistosoma mansoni	tar DNA-binding protein	0.0137	0.2513	0.9384
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0286	1
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0837	0.1791
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0286	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0067	0.0837	0.1791
Schistosoma mansoni	hypothetical protein	0.0067	0.0837	0.3125
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0031	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0137	0.2513	0.9384
Brugia malayi	beta-lactamase family protein	0.0043	0.0286	0.0612
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0286	0.0487
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0286	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0211	0.4263	0.9127
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0286	0.0612
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0067	0.0837	0.0837
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0286	0.0612
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0285	0.0285
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0286	0.0487
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0286	0.0487
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0286	0.1067
Entamoeba histolytica	hypothetical protein	0.0043	0.0285	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0286	0.5
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0286	0.0612
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0286	0.0487
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0286	0.0487
Onchocerca volvulus		0.0043	0.0286	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0286	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0286	0.1067
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0286	0.0286
Brugia malayi	MH2 domain containing protein	0.0121	0.2132	0.4564
Schistosoma mansoni	hypothetical protein	0.0067	0.0837	0.3125
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0286	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.5864	1
Loa Loa (eye worm)	hypothetical protein	0.0211	0.4263	0.9127
Brugia malayi	beta-lactamase family protein	0.0043	0.0286	0.0612
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0067	0.0837	0.0837
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0286	1
Brugia malayi	RNA recognition motif domain containing protein	0.0137	0.2513	0.5379
Echinococcus multilocularis	GPCR, family 2	0.0067	0.0837	0.0837
Schistosoma mansoni	hypothetical protein	0.0144	0.2677	1
Brugia malayi	TAR-binding protein	0.0137	0.2513	0.5379
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0286	0.0487
Schistosoma mansoni	hypothetical protein	0.0067	0.0837	0.3125
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0286	0.0612
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0285	0.1065
Onchocerca volvulus		0.0043	0.0286	0.5
Brugia malayi	hypothetical protein	0.0043	0.0285	0.061
Echinococcus multilocularis	neuropeptide s receptor	0.0451	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0211	0.4263	0.9127
Entamoeba histolytica	hypothetical protein	0.0043	0.0285	0.5
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0286	0.0487
Brugia malayi	latrophilin 2 splice variant baaae	0.0144	0.2677	0.5732
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0067	0.0837	0.1791
Schistosoma mansoni	hypothetical protein	0.0067	0.0837	0.3125
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0067	0.0837	0.0837
Echinococcus granulosus	tar DNA binding protein	0.0137	0.2513	0.2513
Brugia malayi	follicle stimulating hormone receptor	0.0228	0.4671	1
Toxoplasma gondii	ABC1 family protein	0.0043	0.0286	1
Loa Loa (eye worm)	TAR-binding protein	0.0137	0.2513	0.5379
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0137	0.2513	0.5379
Leishmania major	hypothetical protein, conserved	0.0043	0.0286	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0286	0.0487
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0285	0.0285
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0286	0.0612
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0286	0.0286
Mycobacterium ulcerans	lipase LipD	0.0043	0.0286	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.2132	0.4564
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0286	0.0612
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0286	0.0487
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0286	0.5
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0286	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0286	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0137	0.2513	0.9384
Echinococcus multilocularis	tar DNA binding protein	0.0137	0.2513	0.2513
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0286	0.0612
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0286	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0067	0.0837	0.0837
Loa Loa (eye worm)	RNA binding protein	0.0137	0.2513	0.5379
Brugia malayi	RNA binding protein	0.0137	0.2513	0.5379
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0286	0.0612
Entamoeba histolytica	hypothetical protein	0.0043	0.0285	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0211	0.4263	0.9127
Schistosoma mansoni	tar DNA-binding protein	0.0137	0.2513	0.9384
Loa Loa (eye worm)	hypothetical protein	0.0144	0.2677	0.5732
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.2132	0.4564
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0286	0.5
Echinococcus granulosus	neuropeptide receptor A26	0.0451	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0137	0.2513	0.9384
Brugia malayi	beta-lactamase	0.0043	0.0286	0.0612
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0286	0.0487
Entamoeba histolytica	hypothetical protein	0.0043	0.0285	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0228	0.4671	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0286	0.0612
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0286	1
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0286	1

Activities

Activity type	Activity value	Assay description	Source	Reference
BK (functional)	= 15 %	Blockade of peak steady-state K+ currents of Kv1.3 channels in mice fibroblasts L929 at 50 microM concentration	ChEMBL.	11312924
BK (functional)	= 15 %	Blockade of peak steady-state K+ currents of Kv1.3 channels in mice fibroblasts L929 at 50 microM concentration	ChEMBL.	11312924
BK (functional)	= 37 %	Blockade of peak steady-state K+ currents of neuroblastoma cells N1E-115 at 50 microM concentration	ChEMBL.	11312924
BK (functional)	= 37 %	Blockade of peak steady-state K+ currents of neuroblastoma cells N1E-115 at 50 microM concentration	ChEMBL.	11312924
BNa (functional)	= 3 %	Blockade of peak steady-state Na+ currents of neuroblastoma cells N1E-115 at 50 microM concentration	ChEMBL.	11312924
BNa (functional)	= 3 %	Blockade of peak steady-state Na+ currents of neuroblastoma cells N1E-115 at 50 microM concentration	ChEMBL.	11312924

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: CHEMBL22878
PubChem: 600051

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 27543