TDR Targets

Basic information

Technical information

TDR Targets ID: 798790
Name: methyl N-[4-(oxolan-2-ylmethylcarbamoyl)pheny l]carbamate
MW: 278.304 | Formula: C14H18N2O4
H donors: 2 H acceptors: 2 LogP: 1.19 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)Nc1ccc(cc1)C(=O)NCC1CCCO1
InChi: 1S/C14H18N2O4/c1-19-14(18)16-11-6-4-10(5-7-11)13(17)15-9-12-3-2-8-20-12/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)(H,16,18)
InChiKey: PGECYZDVCGBWNW-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

methyl N-[4-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamate
N-[4-[oxo-(2-tetrahydrofuranylmethylamino)methyl]phenyl]carbamic acid methyl ester
N-[4-(tetrahydrofurfurylcarbamoyl)phenyl]carbamic acid methyl ester
MLS000064401
A3135/0132554
methyl (4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}phenyl)carbamate
[4-[(Tetrahydrofuran-2-ylmethyl)carbamoyl]phenyl]carbamic acid, methyl ester
ChemDiv3_007292
SMR000078027
IDI1_025202

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	hydroxyprostaglandin dehydrogenase 15-(NAD)	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	steroid dehydrogenase, putative	hydroxyprostaglandin dehydrogenase 15-(NAD)	266 aa	216 aa	22.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Giardia lamblia	Oxidoreductase, short chain dehydrogenase/reductase family	0.0005	0.0019	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0158	0.1045
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0035	0.1333	1
Plasmodium falciparum	steroid dehydrogenase, putative	0.0005	0.0019	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1787	0.5921
Schistosoma mansoni	hypothetical protein	0.0048	0.1894	0.6281
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0.0019	0.0128
Plasmodium vivax	hypothetical protein, conserved	0.0005	0.0019	0.5
Loa Loa (eye worm)	RNA binding protein	0.0067	0.2721	0.2707
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0158	0.1045
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0158	0.1045
Plasmodium falciparum	oxidoreductase, short-chain dehydrogenase family, putative	0.0005	0.0019	0.5
Echinococcus granulosus	survival motor neuron protein 1	0.0235	1	1
Trichomonas vaginalis	estradiol 17 beta-dehydrogenase, putative	0.0005	0.0019	0.0128
Echinococcus granulosus	inositol monophosphatase 1	0.0039	0.151	0.1494
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1787	0.1771
Schistosoma mansoni	inositol monophosphatase	0.0039	0.151	0.4995
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.2721	0.905
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0158	0.1045
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.151	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1787	0.5921
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0.0019	0.0128
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1787	0.1771
Giardia lamblia	Short-chain dehydrogenase, putative	0.0005	0.0019	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0.0019	0.0128
Giardia lamblia	Reductase, putative	0.0005	0.0019	0.5
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0158	0.1045
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.1787	0.1771
Echinococcus multilocularis	muscleblind protein 1	0.0153	0.6431	0.6424
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.151	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.6324	0.6317
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0158	0.1045
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.132	0.1303
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0276	0.0257
Loa Loa (eye worm)	inositol-1	0.0039	0.151	0.1494
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0158	0.1045
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0191	0.0172
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0.0019	0.0128
Brugia malayi	CXXC zinc finger family protein	0.0035	0.132	0.1303
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.2664	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0039	0.151	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0005	0.0033	0.0045
Plasmodium vivax	steroid dehydrogenase, putative	0.0005	0.0019	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0191	0.0574
Echinococcus granulosus	cpg binding protein	0.0037	0.1406	0.1389
Schistosoma mansoni	cpg binding protein	0.0035	0.132	0.4357
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.1894	0.1879
Echinococcus granulosus	muscleblind protein	0.0153	0.6431	0.6424
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0.0019	0.0128
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0158	0.1045
Echinococcus multilocularis	inositol monophosphatase 1	0.0039	0.151	0.1494
Trichomonas vaginalis	short-chain dehydrogenases/reductase, putative	0.0005	0.0019	0.0128
Trichomonas vaginalis	helicase, putative	0.0008	0.0158	0.1045
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0158	0.1045
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0035	0.1333	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.151	1
Schistosoma mansoni	cpg binding protein	0.0037	0.1406	0.4644
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.151	1
Onchocerca volvulus		0.0048	0.1894	0.2974
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0.0019	0.0128
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1787	0.1771
Brugia malayi	Inositol-1	0.0039	0.151	0.1494
Onchocerca volvulus		0.015	0.6324	1
Echinococcus multilocularis	muscleblind protein	0.0153	0.6431	0.6424
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1787	0.5921
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.2721	0.2707
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.2721	0.2707
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0158	0.1045
Brugia malayi	TAR-binding protein	0.0067	0.2721	0.2707
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0039	0.151	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0158	0.1045
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0.0019	0.0128
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0282	0.0263
Echinococcus multilocularis	cpg binding protein	0.0037	0.1406	0.1389
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.1787	0.1771
Echinococcus multilocularis	survival motor neuron protein 1	0.0235	1	1
Loa Loa (eye worm)	hypothetical protein	0.0153	0.6431	0.6424
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0009	0.0191	0.0172
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0282	0.0263
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0282	0.0263
Giardia lamblia	Hypothetical protein	0.0005	0.0019	0.5
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0039	0.151	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0158	0.1045
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.2721	0.2707
Echinococcus granulosus	tar DNA binding protein	0.0067	0.2721	0.2707
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.3005	1
Loa Loa (eye worm)	hypothetical protein	0.0235	1	1
Schistosoma mansoni	cpg binding protein	0.0037	0.1406	0.4644
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.2721	0.905
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0039	0.151	0.5638
Trichomonas vaginalis	inositol monophosphatase, putative	0.0039	0.151	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0191	0.0172
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0158	0.1045
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.151	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0158	0.1045
Loa Loa (eye worm)	hypothetical protein	0.0153	0.6431	0.6424
Brugia malayi	RNA binding protein	0.0067	0.2721	0.2707
Schistosoma mansoni	inositol monophosphatase	0.0039	0.151	0.4995
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.2721	0.2707
Brugia malayi	hypothetical protein	0.015	0.6324	0.6317
Schistosoma mansoni	survival motor neuron protein	0.0048	0.1894	0.6281
Brugia malayi	Muscleblind-like protein	0.0153	0.6431	0.6424
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0009	0.0191	0.0172
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0.0019	0.0128
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.2721	0.905
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.2721	0.905
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1787	0.1771
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0158	0.1045
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0158	0.1045
Onchocerca volvulus		0.0035	0.132	0.2063
Trichomonas vaginalis	steroid dehydrogenase, putative	0.0005	0.0019	0.0128
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0158	0.1045
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0005	0.0019	0.5
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.151	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.2721	0.905
Trichomonas vaginalis	hydroxyacyl dehydrogenase, putative	0.0005	0.0019	0.0128

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.2332 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)	= 5.6234 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory)	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: CHEMBL1480413
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 798790