TDR Targets

Basic information

Technical information

TDR Targets ID: 1408193
Name: 6-methoxy-3-[[1-(oxolan-2-ylmethyl)tetrazol-5 -yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one
MW: 424.496 | Formula: C22H28N6O3
H donors: 1 H acceptors: 5 LogP: 2.54 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)cc(c(n2)O)C(c1nnnn1CC1CCCO1)N1CCCCC1
InChi: 1S/C22H28N6O3/c1-30-16-7-8-19-15(12-16)13-18(22(29)23-19)20(27-9-3-2-4-10-27)21-24-25-26-28(21)14-17-6-5-11-31-17/h7-8,12-13,17,20H,2-6,9-11,14H2,1H3,(H,23,29)
InChiKey: RFWQSKBMTSQZQE-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-3-[1-piperidyl-[1-(tetrahydrofuran-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
6-methoxy-3-[1-piperidyl-[1-(2-tetrahydrofuranylmethyl)-5-tetrazolyl]methyl]-1H-quinolin-2-one
6-methoxy-3-[piperidino-[1-(tetrahydrofurfuryl)tetrazol-5-yl]methyl]carbostyril
6-methoxy-3-[[1-(oxolan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]-piperidin-1-yl-methyl]-1H-quinolin-2-one
Oprea1_056020
MLS000714446
SMR000274425
ASN 03777571

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glutaminase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Loa Loa (eye worm)	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Brugia malayi	glutaminase DH11.1	Get druggable targets OG5_129245	All targets in OG5_129245
Trichomonas vaginalis	glutaminase, putative	Get druggable targets OG5_129245	All targets in OG5_129245
Mycobacterium ulcerans	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Loa Loa (eye worm)	glutaminase 2	Get druggable targets OG5_129245	All targets in OG5_129245

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	cyclic nucleotide gated cation channel alpha 3	0.0016	0.0002	0.0015
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0047	0.0077	0.098
Schistosoma mansoni	lipoxygenase	0.0623	0.1469	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0081	0.016	0.2102
Mycobacterium ulcerans	phytoene synthase, CrtB	0.064	0.1511	0.0812
Brugia malayi	glutaminase DH11.1	0.033	0.0761	1
Onchocerca volvulus	Subfamily M14A unassigned peptidase homolog	0.0273	0.0623	1
Brugia malayi	Zinc carboxypeptidase family protein	0.0047	0.0077	0.1006
Trichomonas vaginalis	glutaminase, putative	0.033	0.0761	1
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0016	0.0002	0.0015
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0047	0.0077	0.098
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0081	0.016	0.1089
Schistosoma mansoni	carboxypeptidase N (M14 family)	0.0047	0.0077	0.0521
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0077	0.1006
Schistosoma mansoni	rab6-interacting	0.0119	0.0252	0.1713
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0119	0.0252	0.1713
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0623	0.1469	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0119	0.0252	0.1713
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0135	0.0288	0.1964
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0077	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0226	0.051	0.6698
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0623	0.1469	1
Onchocerca volvulus		0.0047	0.0077	0.1229
Loa Loa (eye worm)	hypothetical protein	0.0163	0.0357	0.4691
Schistosoma mansoni	voltage-gated potassium channel	0.0089	0.0178	0.1212
Schistosoma mansoni	voltage-gated potassium channel	0.0024	0.002	0.0138
Brugia malayi	hypothetical protein	0.0119	0.0252	0.3305
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0077	0.1006
Leishmania major	squalene synthase, putative	0.0242	0.0548	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0077	0.1006
Onchocerca volvulus		0.0273	0.0623	1
Loa Loa (eye worm)	glutaminase	0.033	0.0761	1
Trypanosoma cruzi	phytoene synthase, putative	0.0163	0.0357	0.5953
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0016	0.0002	0.0015
Schistosoma mansoni	family M14 non-peptidase homologue (M14 family)	0.0047	0.0077	0.0521
Echinococcus multilocularis	Squalene phytoene synthase	0.0163	0.0357	0.2431
Onchocerca volvulus		0.0119	0.0252	0.4038
Echinococcus granulosus	voltage gated potassium channel	0.0024	0.002	0.0138
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0047	0.0077	0.098
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0016	0.0002	0.0029
Schistosoma mansoni	lipoxygenase	0.0408	0.095	0.6467
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0024	0.002	0.0266
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0016	0.0002	0.0029
Schistosoma mansoni	rab6-interacting	0.0119	0.0252	0.1713
Schistosoma mansoni	hypothetical protein	0.0086	0.0171	0.1163
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0081	0.016	0.1089
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0076	0.0147	0.1908
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0047	0.0077	0.098
Echinococcus granulosus	subfamily M14A unassigned peptidase	0.0273	0.0623	0.4242
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0016	0.0002	0.0015
Schistosoma mansoni	loxhd1	0.0119	0.0252	0.1713
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0134	0.1761
Echinococcus multilocularis	RUN	0.0119	0.0252	0.1713
Trypanosoma brucei	squalene synthase, putative	0.0242	0.0548	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0081	0.016	0.2102
Trypanosoma cruzi	squalene synthase, putative	0.0242	0.0548	1
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0252	0.3305
Trypanosoma cruzi	squalene synthase, putative	0.0242	0.0548	1
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0016	0.0002	0.0015
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0076	0.0147	0.1908
Loa Loa (eye worm)	doublecortin family protein	0.0119	0.0252	0.3305
Mycobacterium tuberculosis	Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras	0.2607	0.6263	1
Schistosoma mansoni	voltage-gated potassium channel	0.0089	0.0178	0.1212
Echinococcus multilocularis	cytosolic carboxypeptidase protein 5	0.0047	0.0077	0.0521
Echinococcus granulosus	Squalene phytoene synthase	0.0163	0.0357	0.2431
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0047	0.0077	0.098
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0047	0.0077	0.098
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0077	0.1006
Schistosoma mansoni	peptidase	0.0047	0.0077	0.0521
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0252	0.3305
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0024	0.002	0.0138
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0047	0.0077	0.5
Brugia malayi	hypothetical protein	0.0062	0.0113	0.1482
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0077	0.1006
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0135	0.0288	0.1964
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0047	0.0077	0.098
Brugia malayi	Zinc carboxypeptidase family protein	0.0047	0.0077	0.1006
Onchocerca volvulus		0.0047	0.0077	0.1229
Brugia malayi	Doublecortin family protein	0.0119	0.0252	0.3305
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0016	0.0002	0.0015
Leishmania major	hypothetical protein, conserved	0.0163	0.0357	0.5953
Brugia malayi	Zinc carboxypeptidase family protein	0.0047	0.0077	0.1006
Echinococcus granulosus	hyperpolarization activated cyclic	0.0016	0.0002	0.0015
Schistosoma mansoni	subfamily M14A unassigned peptidase (M14 family)	0.0273	0.0623	0.4242
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0047	0.0077	0.098
Brugia malayi	hypothetical protein	0.0119	0.0252	0.3305
Schistosoma mansoni	hypothetical protein	0.0119	0.0252	0.1713
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0047	0.0077	0.098
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0002	0.0029
Brugia malayi	Zinc carboxypeptidase family protein	0.0047	0.0077	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0077	0.1006
Schistosoma mansoni	voltage-gated potassium channel	0.0024	0.002	0.0138
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0016	0.0002	0.0015
Echinococcus multilocularis		0.0047	0.0077	0.0521
Echinococcus granulosus	hyperpolarization activated cyclic	0.0016	0.0002	0.0015
Echinococcus granulosus	lipoxygenase domain containing protein	0.0119	0.0252	0.1713
Onchocerca volvulus	Cytosolic carboxypeptidase 1 homolog	0.0047	0.0077	0.1229
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0016	0.0002	0.0015
Brugia malayi	Zinc carboxypeptidase family protein	0.0047	0.0077	0.1006
Brugia malayi	Carboxypeptidase A2 precursor	0.0047	0.0077	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0077	0.1006
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0016	0.0002	0.0015
Onchocerca volvulus		0.0119	0.0252	0.4038
Schistosoma mansoni	glutaminase	0.033	0.0761	0.5182
Schistosoma mansoni	metallocarboxypeptidase D peptidase unit 2 (M14 family)	0.0047	0.0077	0.0521
Schistosoma mansoni	peptidase	0.0047	0.0077	0.0521
Onchocerca volvulus		0.0273	0.0623	1
Plasmodium vivax	multidomain scavenger receptor, putative	0.0119	0.0252	0.0176
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0119	0.0252	0.1713
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0077	0.1006
Brugia malayi	Zinc carboxypeptidase family protein	0.0047	0.0077	0.1006
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0016	0.0002	0.0029
Onchocerca volvulus	Carboxypeptidase D homolog	0.0047	0.0077	0.1229
Schistosoma mansoni	voltage-gated potassium channel	0.0016	0.0002	0.0015
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0135	0.0288	0.3791
Loa Loa (eye worm)	zinc carboxypeptidase	0.0047	0.0077	0.1006
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0047	0.0077	0.5
Brugia malayi	Zinc carboxypeptidase family protein	0.0047	0.0077	0.1006
Echinococcus granulosus	RUN	0.0119	0.0252	0.1713
Loa Loa (eye worm)	hypothetical protein	0.0024	0.002	0.0266
Onchocerca volvulus		0.0273	0.0623	1
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0047	0.0077	0.098
Brugia malayi	Zinc carboxypeptidase family protein	0.0047	0.0077	0.1006
Loa Loa (eye worm)	glutaminase 2	0.033	0.0761	1
Echinococcus multilocularis	voltage gated potassium channel	0.0024	0.002	0.0138
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0047	0.0077	0.5
Onchocerca volvulus	NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog	0.0163	0.0357	0.573
Loa Loa (eye worm)	zinc carboxypeptidase	0.0047	0.0077	0.1006
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0016	0.0002	0.0015
Loa Loa (eye worm)	zinc carboxypeptidase	0.0047	0.0077	0.1006
Schistosoma mansoni	polycystin 1-related	0.0119	0.0252	0.1713
Echinococcus granulosus	cytosolic carboxypeptidase protein 5	0.0047	0.0077	0.0521
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0016	0.0002	0.0015
Echinococcus granulosus	Polycystic kidney disease protein	0.0119	0.0252	0.1713
Echinococcus granulosus	cytosolic carboxypeptidase 1	0.0047	0.0077	0.0521
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0016	0.0002	0.0015
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0016	0.0002	0.0015
Echinococcus granulosus	Zinc carboxypeptidase family protein	0.0047	0.0077	0.0521
Echinococcus multilocularis	Polycystic kidney disease protein	0.0119	0.0252	0.1713
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0016	0.0002	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0077	0.1006
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0024	0.002	0.0138
Schistosoma mansoni	peptidase	0.0047	0.0077	0.0521
Schistosoma mansoni	hypothetical protein	0.0163	0.0357	0.2431
Onchocerca volvulus		0.0273	0.0623	1
Schistosoma mansoni	hypothetical protein	0.0047	0.0077	0.0521
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0135	0.0288	0.1964
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0047	0.0077	0.098
Trypanosoma brucei	RNA helicase, putative	0.0086	0.0171	0.2001
Schistosoma mansoni	protease m14 carboxypeptidase	0.0047	0.0077	0.0521
Echinococcus multilocularis	subfamily M14A unassigned peptidase	0.0273	0.0623	0.4242
Loa Loa (eye worm)	zinc carboxypeptidase	0.0047	0.0077	0.1006
Echinococcus multilocularis	Zinc carboxypeptidase family protein	0.0047	0.0077	0.0521

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.631 uM	PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.2944 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)	25.1189 uM	PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	50.1187 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

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: CHEMBL1564435

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 1408193