TDR Targets

Basic information

Technical information

TDR Targets ID: 821943
Name: N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl ]furan-2-carboxamide
MW: 350.368 | Formula: C20H18N2O4
H donors: 2 H acceptors: 2 LogP: 3.39 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)NC(=O)c1ccco1)COc1ccccc1C
InChi: 1S/C20H18N2O4/c1-14-5-2-3-6-17(14)26-13-19(23)21-15-8-10-16(11-9-15)22-20(24)18-7-4-12-25-18/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChiKey: NMWWAADVEZORRQ-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

N-[4-[[2-(2-methylphenoxy)-1-oxoethyl]amino]phenyl]-2-furancarboxamide
N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]-2-furamide
N-[4-[2-(2-methylphenoxy)ethanoylamino]phenyl]furan-2-carboxamide
5842-16-0
MLS000707980
SMR000289047
ZINC00908394
Oprea1_729712
BAS 03318650
Oprea1_359560
Furan-2-carboxylic acid [4-(2-o-tolyloxy-acetylamino)-phenyl]-amide
CBMicro_006929
BIM-0006789.P001

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	synuclein, alpha (non A4 component of amyloid precursor)	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
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
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	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
Echinococcus multilocularis	guanine nucleotide binding protein G(s) 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
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

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	TK/INSR protein kinase	0.0093	0.0121	0.0143
Echinococcus multilocularis	hypothetical protein	0.0322	0.2227	0.294
Schistosoma mansoni	tyrosine kinase	0.0093	0.0121	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0322	0.2227	0.294
Brugia malayi	Plexin repeat family protein	0.0758	0.6244	0.8274
Echinococcus multilocularis	neuroglian	0.0087	0.0058	0.0059
Onchocerca volvulus		0.0322	0.2227	0.2948
Echinococcus multilocularis	transcription factor collier	0.0141	0.056	0.0726
Echinococcus multilocularis	epidermal growth factor receptor	0.0196	0.1068	0.14
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0126	0.0424	0.0411
Schistosoma mansoni	tyrosine kinase	0.0126	0.0424	0.0679
Brugia malayi	Sema domain containing protein	0.0322	0.2227	0.294
Echinococcus multilocularis	epidermal growth factor receptor	0.0126	0.0424	0.0545
Entamoeba histolytica	tyrosin kinase, putative	0.0187	0.0984	1
Loa Loa (eye worm)	hypothetical protein	0.0322	0.2227	0.294
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.056	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0274	0.1782	0.2349
Echinococcus multilocularis	plexin a4	0.0899	0.7544	1
Brugia malayi	Probable exocyst complex component Sec5	0.0141	0.056	0.0726
Brugia malayi	DNA-binding protein LAG-1	0.0141	0.056	0.0726
Schistosoma mansoni	vesicular amine transporter	0.0082	0.0013	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0322	0.2227	0.294
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0082	0.0013	0.0022
Echinococcus granulosus	neuroglian	0.0087	0.0058	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0141	0.056	0.0726
Loa Loa (eye worm)	hypothetical protein	0.0436	0.3276	0.4333
Loa Loa (eye worm)	hypothetical protein	0.0322	0.2227	0.294
Schistosoma mansoni	nephrin	0.0087	0.0058	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0088	0.007	0.0075
Schistosoma mansoni	hypothetical protein	0.0141	0.056	0.0897
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.056	0.5
Echinococcus multilocularis	semaphorin 5B	0.0322	0.2227	0.294
Echinococcus granulosus	transcription factor collier	0.0141	0.056	0.0547
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0141	0.056	0.5
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0274	0.1782	0.2349
Echinococcus granulosus	roundabout 2	0.0093	0.0115	0.0101
Schistosoma mansoni	hypothetical protein	0.0436	0.3276	0.5248
Schistosoma mansoni	hypothetical protein	0.0141	0.056	0.0897
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.056	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0187	0.0984	1
Echinococcus granulosus	epidermal growth factor receptor	0.0126	0.0424	0.0411
Brugia malayi	hypothetical protein	0.0322	0.2227	0.294
Schistosoma mansoni	hypothetical protein	0.0322	0.2227	0.3567
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0141	0.056	0.5
Schistosoma mansoni	tyrosine kinase	0.0196	0.1068	0.1711
Echinococcus granulosus	twitchin	0.0087	0.0058	0.0044
Echinococcus multilocularis	insulin receptor	0.0093	0.0121	0.0143
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0196	0.1068	0.14
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0141	0.056	0.5
Schistosoma mansoni	plexin	0.0436	0.3276	0.5248
Echinococcus granulosus	semaphorin 1A	0.0322	0.2227	0.2217
Schistosoma mansoni	tyrosine kinase	0.0126	0.0424	0.0679
Loa Loa (eye worm)	hypothetical protein	0.0141	0.056	0.0726
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0093	0.0121	0.0143
Brugia malayi	Protein kinase domain containing protein	0.0093	0.0121	0.0143
Echinococcus granulosus	plexin a4	0.0899	0.7544	0.754
Brugia malayi	Furin-like cysteine rich region family protein	0.0196	0.1068	0.14
Schistosoma mansoni	tyrosine kinase	0.0093	0.0121	0.0193
Loa Loa (eye worm)	plexin A	0.0899	0.7544	1
Echinococcus multilocularis	roundabout 2	0.0093	0.0115	0.0134
Echinococcus multilocularis	exocyst complex component 2	0.0141	0.056	0.0726
Loa Loa (eye worm)	hypothetical protein	0.0141	0.056	0.0726
Brugia malayi	plexin A	0.0899	0.7544	1
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0115	0.0134
Onchocerca volvulus		0.0758	0.6244	1
Loa Loa (eye worm)	sema domain-containing protein	0.0322	0.2227	0.294
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0115	0.0134
Schistosoma mansoni	plexin	0.0758	0.6244	1
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.056	0.5
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0093	0.0121	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0322	0.2227	0.294
Echinococcus granulosus	epidermal growth factor receptor	0.0196	0.1068	0.1056
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0082	0.0013	0.0022
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.056	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.056	0.5
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0088	0.007	0.0057
Schistosoma mansoni	semaphorin 5-related	0.0322	0.2227	0.3567
Echinococcus granulosus	semaphorin 5B	0.0322	0.2227	0.2217
Loa Loa (eye worm)	hypothetical protein	0.0322	0.2227	0.294
Schistosoma mansoni	fibrocystin l	0.0141	0.056	0.0897
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0141	0.056	0.5
Echinococcus granulosus	exocyst complex component 2	0.0141	0.056	0.0547
Loa Loa (eye worm)	sema domain-containing protein	0.0322	0.2227	0.294
Brugia malayi	hypothetical protein	0.0322	0.2227	0.294
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0141	0.056	0.5
Schistosoma mansoni	hypothetical protein	0.0322	0.2227	0.3567
Loa Loa (eye worm)	hypothetical protein	0.0141	0.056	0.0726
Loa Loa (eye worm)	hypothetical protein	0.0758	0.6244	0.8274
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.056	0.5
Schistosoma mansoni	cell adhesion molecule	0.0088	0.007	0.0112
Echinococcus granulosus	insulin receptor	0.0093	0.0121	0.0108
Brugia malayi	IPT/TIG domain containing protein	0.0141	0.056	0.0726
Onchocerca volvulus	Tyrosine kinase homolog	0.0191	0.1016	0.0822
Brugia malayi	Sema domain containing protein	0.0322	0.2227	0.294

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.1835 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	0.8913 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)	4.4668 uM	PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.2213 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)	21.1923 uM	PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.929 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	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: CHEMBL1566206
Search by Saint Jude

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 821943