TDR Targets

Basic information

Technical information

TDR Targets ID: 233721
Name: 2,3-bis(4-hydroxyphenyl)-N-propylpropanamide
MW: 299.364 | Formula: C18H21NO3
H donors: 3 H acceptors: 3 LogP: 3.31 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCCNC(=O)C(c1ccc(cc1)O)Cc1ccc(cc1)O
InChi: 1S/C18H21NO3/c1-2-11-19-18(22)17(14-5-9-16(21)10-6-14)12-13-3-7-15(20)8-4-13/h3-10,17,20-21H,2,11-12H2,1H3,(H,19,22)
InChiKey: RHAHPNHJDTVNNB-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-bis(4-hydroxyphenyl)-N-propyl-propanamide
2,3-bis(4-hydroxyphenyl)-N-propyl-propionamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Loa Loa (eye worm)	PAN domain-containing protein	0.002	0.0191	0.0191
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.0135	0.5
Brugia malayi	PAN domain containing protein	0.002	0.0191	0.0158
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0135	0.037
Brugia malayi	PAN domain containing protein	0.002	0.0191	0.0158
Loa Loa (eye worm)	PAN domain-containing protein	0.002	0.0191	0.0191
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0534	0.114
Loa Loa (eye worm)	hypothetical protein	0.002	0.0191	0.0191
Schistosoma mansoni	lamin	0.0026	0.0325	0.0542
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0033	0.0033
Toxoplasma gondii	hypothetical protein	0.002	0.0191	0.0077
Schistosoma mansoni	lamin	0.0026	0.0325	0.0542
Schistosoma mansoni	hypothetical protein	0.0164	0.3639	1
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0135	0.5
Brugia malayi	hypothetical protein	0.0035	0.0534	0.0502
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0135	0.5
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0135	0.5
Entamoeba histolytica	hypothetical protein	0.0035	0.0534	1
Onchocerca volvulus		0.0026	0.0325	0.0136
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.0135	0.5
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0325	0.0325
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0135	0.5
Loa Loa (eye worm)	PAN domain-containing protein	0.002	0.0191	0.0191
Schistosoma mansoni	lozenge	0.0054	0.099	0.244
Toxoplasma gondii	PAN domain-containing protein	0.002	0.0191	0.0077
Brugia malayi	PAN domain containing protein	0.002	0.0191	0.0158
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.0135	0.5
Brugia malayi	PAN domain containing protein	0.002	0.0191	0.0158
Toxoplasma gondii	PAN domain-containing protein	0.0318	0.7364	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.0135	0.5
Echinococcus granulosus	lamin	0.0026	0.0325	0.0892
Loa Loa (eye worm)	PAN domain-containing protein	0.002	0.0191	0.0191
Toxoplasma gondii	microneme protein MIC4	0.002	0.0191	0.0077
Toxoplasma gondii	1,3(4)-beta-glucanase	0.002	0.0191	0.0077
Brugia malayi	PAN domain containing protein	0.002	0.0191	0.0158
Loa Loa (eye worm)	hypothetical protein	0.0428	1	1
Brugia malayi	PAN domain containing protein	0.002	0.0191	0.0158
Loa Loa (eye worm)	hypothetical protein	0.002	0.0191	0.0191
Onchocerca volvulus		0.0428	1	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0135	0.037
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0534	0.1468
Loa Loa (eye worm)	hypothetical protein	0.002	0.0191	0.0191
Toxoplasma gondii	PAN domain-containing protein	0.002	0.0191	0.0077
Echinococcus multilocularis	lamin	0.0026	0.0325	0.0892
Brugia malayi	PAN domain containing protein	0.002	0.0191	0.0158
Toxoplasma gondii	microneme protein MIC17C	0.002	0.0191	0.0077
Schistosoma mansoni	hypothetical protein	0.0164	0.3639	1
Toxoplasma gondii	PAN domain-containing protein	0.002	0.0191	0.0077
Toxoplasma gondii	microneme protein, putative	0.002	0.0191	0.0077
Schistosoma mansoni	hypothetical protein	0.0035	0.0534	0.114
Echinococcus multilocularis	Protein lozenge	0.0054	0.099	0.272
Toxoplasma gondii	subtilisin SUB12	0.002	0.0191	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0428	1	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0325	0.0325
Onchocerca volvulus		0.0026	0.0325	0.0136
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0325	0.0292
Brugia malayi	PAN domain containing protein	0.002	0.0191	0.0158
Echinococcus multilocularis	musashi	0.0026	0.0325	0.0892
Loa Loa (eye worm)	hypothetical protein	0.002	0.0191	0.0191
Brugia malayi	PAN domain containing protein	0.002	0.0191	0.0158
Entamoeba histolytica	hypothetical protein	0.0035	0.0534	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0191	0.0191
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0135	0.0135
Echinococcus granulosus	lamin dm0	0.0026	0.0325	0.0892
Toxoplasma gondii	microneme protein MIC17A	0.002	0.0191	0.0077
Echinococcus multilocularis	lamin dm0	0.0026	0.0325	0.0892
Loa Loa (eye worm)	hypothetical protein	0.002	0.0191	0.0191
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0325	0.0542
Toxoplasma gondii	PAN domain-containing protein	0.0318	0.7364	1
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.0135	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0313	0.0313
Toxoplasma gondii	PAN/Apple domain-containing protein	0.002	0.0191	0.0077
Brugia malayi	intermediate filament protein	0.0026	0.0325	0.0292
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0325	0.0325
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0135	0.5
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0135	0.5
Entamoeba histolytica	hypothetical protein	0.0035	0.0534	1
Loa Loa (eye worm)	PAN domain-containing protein	0.002	0.0191	0.0191
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0135	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0534	0.1468
Brugia malayi	PAN domain containing protein	0.002	0.0191	0.0158
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.0135	0.5
Entamoeba histolytica	hypothetical protein	0.0035	0.0534	1
Toxoplasma gondii	microneme protein MIC17B	0.002	0.0191	0.0077
Echinococcus granulosus	geminin	0.0164	0.3639	1
Echinococcus multilocularis	geminin	0.0164	0.3639	1
Toxoplasma gondii	PAN domain-containing protein	0.002	0.0191	0.0077
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0135	0.0102
Toxoplasma gondii	hypothetical protein	0.002	0.0191	0.0077
Loa Loa (eye worm)	runx1	0.0054	0.099	0.099
Schistosoma mansoni	hypothetical protein	0.005	0.09	0.2185
Loa Loa (eye worm)	hypothetical protein	0.002	0.0191	0.0191
Echinococcus granulosus	intermediate filament protein	0.0026	0.0325	0.0892

Activities

Activity type	Activity value	Assay description	Source	Reference
RBA (binding)	< 0.01 %	Relative binding affinity (RBA) at Human estrogen receptor alpha (radiometric binding assay with [3H]-estradiol using full-length human ER alpha)	ChEMBL.	11708925
RBA (binding)	< 0.01 %	Relative binding affinity (RBA) at Human estrogen receptor alpha (radiometric binding assay with [3H]-estradiol using full-length human ER alpha)	ChEMBL.	11708925
RBA (binding)	= 0.043 %	Relative binding affinity (RBA) at human estrogen receptor beta (radiometric binding assay with [3H]-estradiol using full-length human ER Beta)	ChEMBL.	11708925
RBA (binding)	= 0.043 %	Relative binding affinity (RBA) at human estrogen receptor beta (radiometric binding assay with [3H]-estradiol using full-length human ER Beta)	ChEMBL.	11708925

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: CHEMBL337168
PubChem: 11055656

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 233721