TDR Targets

Basic information

Technical information

TDR Targets ID: 457856
Name: 2-[3-[2-(3-ethyl-4,5-diphenylfuran-2-yl)pheny l]phenoxy]acetic acid
MW: 474.546 | Formula: C32H26O4
H donors: 1 H acceptors: 2 LogP: 7.93 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCc1c(oc(c1c1ccccc1)c1ccccc1)c1ccccc1c1cccc(c1)OCC(=O)O
InChi: 1S/C32H26O4/c1-2-26-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)36-32(26)28-19-10-9-18-27(28)24-16-11-17-25(20-24)35-21-29(33)34/h3-20H,2,21H2,1H3,(H,33,34)
InChiKey: OVSRJGILQQUNBM-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-[3-[2-(3-ethyl-4,5-diphenyl-2-furyl)phenyl]phenoxy]acetic acid
2-[3-[2-(3-ethyl-4,5-diphenyl-furan-2-yl)phenyl]phenoxy]ethanoic acid
2-[3-[2-[3-ethyl-4,5-di(phenyl)furan-2-yl]phenyl]phenoxy]acetic acid
2-[3-[2-[3-ethyl-4,5-di(phenyl)-2-furyl]phenyl]phenoxy]acetic acid
2-[3-[2-[3-ethyl-4,5-di(phenyl)furan-2-yl]phenyl]phenoxy]ethanoic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	fatty acid binding protein 5 (psoriasis-associated)	Starlite/ChEMBL	References
Homo sapiens	fatty acid binding protein 3, muscle and heart	Starlite/ChEMBL	References
Homo sapiens	fatty acid binding protein 4, adipocyte	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	fatty acid binding protein FABP2	Get druggable targets OG5_129604	All targets in OG5_129604
Schistosoma mansoni	fatty acid binding protein	Get druggable targets OG5_129604	All targets in OG5_129604
Schistosoma japonicum	Fatty acid-binding protein, putative	Get druggable targets OG5_129604	All targets in OG5_129604
Schistosoma mansoni	fatty acid binding protein	Get druggable targets OG5_129604	All targets in OG5_129604
Brugia malayi	Lipocalin / cytosolic fatty-acid binding protein family protein	Get druggable targets OG5_144191	All targets in OG5_144191
Loa Loa (eye worm)	lipocalin/cytosolic fatty-acid binding protein family protein	Get druggable targets OG5_144191	All targets in OG5_144191
Schistosoma japonicum	ko:K08756 fatty acid-binding protein 7, brain, putative	Get druggable targets OG5_129604	All targets in OG5_129604
Echinococcus multilocularis	fatty acid binding protein FABP2	Get druggable targets OG5_129604	All targets in OG5_129604
Echinococcus multilocularis	fatty acid binding protein FABP2	Get druggable targets OG5_129604	All targets in OG5_129604
Echinococcus granulosus	fatty acid binding protein FABP2	Get druggable targets OG5_129604	All targets in OG5_129604
Echinococcus multilocularis	fatty acid binding protein FABP2	Get druggable targets OG5_129604	All targets in OG5_129604
Echinococcus granulosus	fatty acid binding protein FABP2	Get druggable targets OG5_129604	All targets in OG5_129604
Echinococcus granulosus	fatty acid binding protein, adipocyte	Get druggable targets OG5_129604	All targets in OG5_129604

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Fatty acid-binding protein homolog precursor	fatty acid binding protein 4, adipocyte	132 aa	142 aa	24.6 %
Brugia malayi	Lipocalin / cytosolic fatty-acid binding protein family protein	fatty acid binding protein 3, muscle and heart	133 aa	135 aa	37.0 %
Brugia malayi	FAB1, identical	fatty acid binding protein 5 (psoriasis-associated)	135 aa	150 aa	24.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	snurportin 1	0.0318	0.177	0.177
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0146	0.0706	0.1899
Loa Loa (eye worm)	MBCTL1	0.0056	0.0148	0.0352
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0086	0.0333	0.0333
Schistosoma mansoni	sex comb on midleg homolog	0.0049	0.0106	0.0548
Echinococcus multilocularis	fatty acid binding protein FABP2	0.0206	0.108	0.108
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0108	0.0469	0.0469
Echinococcus granulosus	fatty acid binding protein FABP2	0.0206	0.108	0.5586
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.0373	0.1929
Loa Loa (eye worm)	hypothetical protein	0.007	0.0232	0.0549
Echinococcus granulosus	L aminoadipate semialdehyde	0.0086	0.0333	0.1724
Trichomonas vaginalis	esterase, putative	0.0108	0.0469	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0106	0.0251
Onchocerca volvulus		0.0086	0.0333	0.6255
Loa Loa (eye worm)	beta-lactamase	0.0108	0.0469	0.1112
Trichomonas vaginalis	D-aminoacylase, putative	0.0108	0.0469	0.5
Brugia malayi	beta-lactamase family protein	0.0108	0.0469	0.1112
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0092	0.0373	0.0884
Entamoeba histolytica	hypothetical protein	0.0037	0.0028	0.5
Schistosoma mansoni	hypothetical protein	0.0344	0.1934	1
Echinococcus multilocularis	polycomb protein SCMH1	0.0049	0.0106	0.0106
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0162	0.0808	0.0939
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0053	0.0128	0.0358
Schistosoma mansoni	fatty acid binding protein	0.0206	0.108	0.5586
Trichomonas vaginalis	D-aminoacylase, putative	0.0108	0.0469	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0108	0.0469	0.2434
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0148	0.0352
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0049	0.0106	0.0548
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0308	0.1713	1
Echinococcus granulosus	snurportin 1	0.0318	0.177	0.9156
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0469	0.1112
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0028	0.0028
Brugia malayi	hypothetical protein	0.0037	0.0028	0.0067
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0146	0.0706	0.3871
Brugia malayi	mbt repeat family protein	0.0049	0.0106	0.0251
Schistosoma mansoni	hypothetical protein	0.03	0.1659	0.8582
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0108	0.0469	0.2427
Echinococcus multilocularis	geminin	0.0344	0.1934	0.1934
Loa Loa (eye worm)	lipocalin/cytosolic fatty-acid binding protein family protein	0.0712	0.4221	1
Schistosoma mansoni	hypothetical protein	0.0318	0.177	0.9156
Brugia malayi	beta-lactamase	0.0108	0.0469	0.1112
Entamoeba histolytica	hypothetical protein	0.0037	0.0028	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.0373	0.0373
Echinococcus granulosus	fatty acid binding protein FABP2	0.0081	0.0304	0.1575
Loa Loa (eye worm)	MH2 domain-containing protein	0.0115	0.0516	0.1222
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0373	0.1929
Mycobacterium leprae	Probable lipase LipE	0.0108	0.0469	0.5
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0049	0.0106	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0469	0.1112
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0373	0.1929
Onchocerca volvulus		0.0108	0.0469	1
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0194	0.1005	0.5199
Brugia malayi	latrophilin 2 splice variant baaae	0.007	0.0232	0.0549
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0689	0.4075	1
Echinococcus multilocularis	fatty acid binding protein FABP2	0.0081	0.0304	0.0304
Schistosoma mansoni	hypothetical protein	0.0344	0.1934	1
Onchocerca volvulus		0.0108	0.0469	1
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0056	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0469	0.1112
Brugia malayi	beta-lactamase family protein	0.0108	0.0469	0.1112
Trichomonas vaginalis	D-aminoacylase, putative	0.0108	0.0469	0.5
Brugia malayi	mbt repeat family protein	0.0049	0.0106	0.0251
Trichomonas vaginalis	penicillin-binding protein, putative	0.0108	0.0469	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.0373	0.0373
Plasmodium vivax	hypothetical protein, conserved	0.0108	0.0469	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0373	0.1929
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0056	0.0148	0.0767
Entamoeba histolytica	hypothetical protein	0.0037	0.0028	0.5
Echinococcus granulosus	SAM and MBT domain containing protein	0.0049	0.0106	0.0548
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0086	0.0333	0.1724
Brugia malayi	MH2 domain containing protein	0.0115	0.0516	0.1222
Schistosoma mansoni	hypothetical protein	0.0037	0.0028	0.0145
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0308	0.1713	1
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0056	0.0148	0.0767
Schistosoma mansoni	hypothetical protein	0.007	0.0232	0.1199
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0333	0.079
Echinococcus granulosus	polycomb protein SCMH1	0.0049	0.0106	0.0548
Echinococcus granulosus	beta LACTamase domain containing family member	0.0108	0.0469	0.2427
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0108	0.0469	0.2427
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0028	0.0145
Loa Loa (eye worm)	transcription factor SMAD2	0.0115	0.0516	0.1222
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.0373	0.1929
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0092	0.0373	0.0884
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0056	0.0148	0.0148
Mycobacterium ulcerans	hypothetical protein	0.0162	0.0808	1
Leishmania major	mitochondrial DNA polymerase beta	0.0308	0.1713	1
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0056	0.0148	0.0352
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0308	0.1713	1
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0432	0.1023
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0469	0.1112
Echinococcus granulosus	histone acetyltransferase MYST2	0.0056	0.0148	0.0767
Trypanosoma cruzi	hypothetical protein, conserved	0.0108	0.0469	0.2434
Mycobacterium leprae	conserved hypothetical protein	0.0108	0.0469	0.5
Toxoplasma gondii	ABC1 family protein	0.0108	0.0469	1
Echinococcus granulosus	geminin	0.0344	0.1934	1
Brugia malayi	RNA, U transporter 1	0.0085	0.0325	0.077
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0028	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0469	0.1112
Brugia malayi	Lipocalin / cytosolic fatty-acid binding protein family protein	0.0712	0.4221	1
Loa Loa (eye worm)	mbt repeat family protein	0.0049	0.0106	0.0251
Trypanosoma cruzi	hypothetical protein, conserved	0.0108	0.0469	0.2434
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0146	0.0706	0.3871
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0086	0.0333	0.079
Onchocerca volvulus		0.0108	0.0469	1
Echinococcus granulosus	fatty acid binding protein FABP2	0.0206	0.108	0.5586
Schistosoma mansoni	fatty acid binding protein	0.0206	0.108	0.5586
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0102	0.0432	0.1023
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0108	0.0469	0.1112
Echinococcus granulosus	fatty acid binding protein, adipocyte	0.0081	0.0304	0.1575
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0469	0.1112
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0102	0.0432	0.1023
Entamoeba histolytica	hypothetical protein	0.0037	0.0028	0.5
Echinococcus multilocularis	fatty acid binding protein FABP2	0.0206	0.108	0.108
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0108	0.0469	0.1112
Schistosoma mansoni	sex comb on midleg homolog	0.0049	0.0106	0.0548
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0102	0.0432	0.1023
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0318	0.177	0.4195
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0194	0.1005	0.1005
Trichomonas vaginalis	penicillin-binding protein, putative	0.0108	0.0469	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 3.5 nM	Displacement of 1,8-ANS from aFABP by fluorescence based-assay	ChEMBL.	17502136
Ki (binding)	= 3.5 nM	Displacement of 1,8-ANS from aFABP by fluorescence based-assay	ChEMBL.	17502136
Ki (binding)	= 32 nM	Displacement of [3H]-2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid from aFABP	ChEMBL.	17502136
Ki (binding)	= 32 nM	Displacement of [3H]-2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid from aFABP	ChEMBL.	17502136
Ki (binding)	= 220 nM	Displacement of 1,8-ANS from mFABP by fluorescence based-assay	ChEMBL.	17502136
Ki (binding)	= 220 nM	Displacement of 1,8-ANS from mFABP by fluorescence based-assay	ChEMBL.	17502136
Ki (binding)	= 290 nM	Displacement of 1,8-ANS from eFABP by fluorescence based-assay	ChEMBL.	17502136
Ki (binding)	= 290 nM	Displacement of 1,8-ANS from eFABP by fluorescence based-assay	ChEMBL.	17502136

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: CHEMBL247529
PubChem: 20577264

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 457856