TDR Targets

Basic information

Technical information

TDR Targets ID: 867788
Name: 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)benzi midazole-5-carboxamide
MW: 339.364 | Formula: C19H18FN3O2
H donors: 1 H acceptors: 2 LogP: 2.88 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cccc(c1)n1cnc2c1ccc(c2)C(=O)NCC1CCCO1
InChi: 1S/C19H18FN3O2/c20-14-3-1-4-15(10-14)23-12-22-17-9-13(6-7-18(17)23)19(24)21-11-16-5-2-8-25-16/h1,3-4,6-7,9-10,12,16H,2,5,8,11H2,(H,21,24)
InChiKey: JWEVFCSMGJYFLT-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

1-(3-fluorophenyl)-N-(tetrahydrofuran-2-ylmethyl)benzimidazole-5-carboxamide
1-(3-fluorophenyl)-N-(2-tetrahydrofuranylmethyl)-5-benzimidazolecarboxamide
1-(3-fluorophenyl)-N-(tetrahydrofurfuryl)benzimidazole-5-carboxamide
Oprea1_836909
EU-0099269

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
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
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
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 multilocularis	guanine nucleotide binding protein G(s) 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
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
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	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 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.007	0.0933	0.0933
Echinococcus multilocularis	protein jagged 2	0.007	0.0933	0.0933
Loa Loa (eye worm)	notch protein	0.007	0.0933	0.0933
Echinococcus multilocularis	neurogenic locus notch protein	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.007	0.0933	0.0933
Echinococcus multilocularis	peroxidasin	0.0218	1	1
Loa Loa (eye worm)	hypothetical protein	0.0218	1	1
Schistosoma mansoni	laminin gamma-3 chain	0.007	0.0933	0.0933
Brugia malayi	Animal haem peroxidase family protein	0.0218	1	1
Echinococcus granulosus	protein jagged 1	0.007	0.0933	0.0933
Brugia malayi	Muscle positioning protein 4	0.007	0.0933	0.0933
Brugia malayi	Peroxidasin	0.0218	1	1
Echinococcus multilocularis	neurogenic locus notch protein	0.007	0.0933	0.0933
Onchocerca volvulus	Peroxidase homolog	0.0218	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.0218	1	1
Brugia malayi	EGF-like domain containing protein	0.007	0.0933	0.0933
Brugia malayi	Calcium binding EGF domain containing protein	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.0218	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.0218	1	1
Echinococcus granulosus	neurogenic locus notch protein	0.007	0.0933	0.0933
Echinococcus multilocularis	protein jagged 1	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.007	0.0933	0.0933
Echinococcus multilocularis	protein jagged 1	0.007	0.0933	0.0933
Brugia malayi	EGF-like domain containing protein	0.007	0.0933	0.0933
Brugia malayi	Animal haem peroxidase family protein	0.0218	1	1
Schistosoma mansoni	notch	0.007	0.0933	0.0933
Echinococcus granulosus	slit 2 protein	0.007	0.0933	0.0933
Brugia malayi	Blistered cuticle protein 3	0.0218	1	1
Echinococcus granulosus	protein jagged 1	0.007	0.0933	0.0933
Schistosoma mansoni	septate junction protein	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.007	0.0933	0.0933
Brugia malayi	Calcium binding EGF domain containing protein	0.007	0.0933	0.0933
Echinococcus granulosus	protein jagged 2	0.007	0.0933	0.0933
Schistosoma mansoni	notch	0.007	0.0933	0.0933
Loa Loa (eye worm)	Notch2	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.007	0.0933	0.0933
Brugia malayi	notch-like transmembrane receptor	0.007	0.0933	0.0933
Schistosoma mansoni	hypothetical protein	0.007	0.0933	0.0933
Onchocerca volvulus	Peroxidasin homolog	0.0218	1	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.007	0.0933	0.0933
Brugia malayi	EGF-like domain containing protein	0.007	0.0933	0.0933
Brugia malayi	Cadherin domain containing protein	0.007	0.0933	0.0933
Loa Loa (eye worm)	blistered cuticle protein 3	0.0218	1	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.0933	0.0933
Echinococcus granulosus	neurogenic locus notch protein 4	0.007	0.0933	0.0933
Onchocerca volvulus		0.0218	1	1
Echinococcus multilocularis	neurogenic locus protein delta	0.007	0.0933	0.0933
Brugia malayi	GCC2 and GCC3 family protein	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.0218	1	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.0933	0.0933
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0305	0.0305
Loa Loa (eye worm)	hypothetical protein	0.007	0.0933	0.0933
Schistosoma mansoni	hypothetical protein	0.007	0.0933	0.0933
Brugia malayi	Animal haem peroxidase family protein	0.0218	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0218	1	1
Onchocerca volvulus	Dual oxidase homolog	0.0218	1	1
Onchocerca volvulus	Peroxidasin homolog	0.0218	1	1
Schistosoma mansoni	hypothetical protein	0.007	0.0933	0.0933
Echinococcus multilocularis	neural cadherin	0.007	0.0933	0.0933
Schistosoma mansoni	notch	0.007	0.0933	0.0933
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.007	0.0933	0.0933
Echinococcus granulosus	delta-like protein 1	0.007	0.0933	0.0933
Loa Loa (eye worm)	animal heme peroxidase	0.0218	1	1
Loa Loa (eye worm)	hypothetical protein	0.0218	1	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.0933	0.0933
Schistosoma mansoni	peroxidasin	0.0218	1	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.007	0.0933	0.0933
Schistosoma mansoni	notch	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.007	0.0933	0.0933
Onchocerca volvulus		0.0218	1	1
Schistosoma mansoni	notch	0.007	0.0933	0.0933
Echinococcus granulosus	neurogenic locus notch protein	0.007	0.0933	0.0933
Giardia lamblia	High cysteine protein	0.007	0.0933	0.5
Toxoplasma gondii	EGF family domain-containing protein	0.007	0.0933	0.5
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.007	0.0933	0.0933
Echinococcus multilocularis	neurogenic locus notch protein 4	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.0218	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0218	1	1
Brugia malayi	EGF-like domain containing protein	0.007	0.0933	0.0933
Schistosoma mansoni	hypothetical protein	0.007	0.0933	0.0933
Onchocerca volvulus	Chorion peroxidase homolog	0.0218	1	1
Echinococcus multilocularis	slit 2 protein	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.007	0.0933	0.0933
Schistosoma mansoni	hypothetical protein	0.007	0.0933	0.0933
Schistosoma mansoni	slit	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.0218	1	1
Echinococcus multilocularis	notch	0.007	0.0933	0.0933
Schistosoma mansoni	hypothetical protein	0.007	0.0933	0.0933
Echinococcus granulosus	notch	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.0218	1	1
Echinococcus granulosus	neural cadherin	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.0218	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0305	0.0305
Echinococcus multilocularis	neurogenic locus protein delta	0.007	0.0933	0.0933
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0305	0.0305
Loa Loa (eye worm)	hypothetical protein	0.007	0.0933	0.0933
Brugia malayi	EGF-like domain containing protein	0.007	0.0933	0.0933
Brugia malayi	EGF-like domain containing protein	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.0218	1	1
Loa Loa (eye worm)	hypothetical protein	0.0218	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.0218	1	1
Schistosoma mansoni	hypothetical protein	0.007	0.0933	0.0933
Echinococcus granulosus	peroxidasin	0.0218	1	1
Echinococcus multilocularis	fibropellin Ia	0.007	0.0933	0.0933
Brugia malayi	Cadherin domain containing protein	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.006	0.0305	0.0305
Schistosoma mansoni	peroxidasin	0.0218	1	1
Brugia malayi	Calcium binding EGF domain containing protein	0.007	0.0933	0.0933
Schistosoma mansoni	notch	0.007	0.0933	0.0933
Brugia malayi	EGF-like domain containing protein	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.0218	1	1
Echinococcus granulosus	neurogenic locus protein delta	0.007	0.0933	0.0933
Schistosoma mansoni	cell polarity protein	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.0218	1	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.0218	1	1
Echinococcus granulosus	fibropellin Ia	0.007	0.0933	0.0933
Brugia malayi	Delta serrate ligand family protein	0.007	0.0933	0.0933
Onchocerca volvulus	Peroxidase homolog	0.0218	1	1
Onchocerca volvulus		0.0218	1	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.0933	0.0933
Echinococcus granulosus	protein jagged 2	0.007	0.0933	0.0933
Loa Loa (eye worm)	hypothetical protein	0.0218	1	1
Echinococcus multilocularis	fat cadherin tumor suppressor	0.007	0.0933	0.0933

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0029 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)	3.9811 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)	12.5893 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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: CHEMBL1902944
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 867788