TDR Targets

Basic information

Technical information

TDR Targets ID: 1549593
Name: [2-(ethyl-naphthalen-1-ylamino)-2-oxoethyl] 2 -hydroxybenzoate
MW: 349.38 | Formula: C21H19NO4
H donors: 1 H acceptors: 3 LogP: 4.67 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCN(c1cccc2c1cccc2)C(=O)COC(=O)c1ccccc1O
InChi: 1S/C21H19NO4/c1-2-22(18-12-7-9-15-8-3-4-10-16(15)18)20(24)14-26-21(25)17-11-5-6-13-19(17)23/h3-13,23H,2,14H2,1H3
InChiKey: SONSKTAYAYJMLC-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-(ethyl-(1-naphthyl)amino)-2-oxo-ethyl] 2-hydroxybenzoate
2-hydroxybenzoic acid [2-(ethyl-(1-naphthyl)amino)-2-oxoethyl] ester
2-hydroxybenzoic acid [2-(ethyl-(1-naphthyl)amino)-2-keto-ethyl] ester
[2-(ethyl-naphthalen-1-yl-amino)-2-oxo-ethyl] 2-hydroxybenzoate
ZINC03274919
T0514-3979

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0065	0.3699	1
Echinococcus granulosus	zinc finger protein Ran binding	0.0023	0.0335	0.0729
Leishmania major	hypothetical protein, conserved	0.0023	0.0335	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0023	0.0335	0.0335
Trichomonas vaginalis	conserved hypothetical protein	0.0065	0.3699	0.5
Brugia malayi	brahma associated protein 60 kDa	0.0065	0.3699	0.3699
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.3289	0.3289
Schistosoma mansoni	hypothetical protein	0.0023	0.0335	0.0729
Echinococcus granulosus	SWI:SNF matrix associated	0.0065	0.3699	0.8056
Loa Loa (eye worm)	brahma associated protein	0.0065	0.3699	0.3699
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0023	0.0335	0.5
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.4591	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0335	0.0335
Echinococcus granulosus	Zinc finger RanBP2 type	0.0023	0.0335	0.0729
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0023	0.0335	0.0335
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0023	0.0335	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1767	0.1767
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0065	0.3699	0.8056
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0065	0.3699	1
Trypanosoma cruzi	WLM domain containing protein, putative	0.0023	0.0335	0.5
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0023	0.0335	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.1767	0.1767
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0065	0.3699	0.5
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0023	0.0335	0.0729
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0023	0.0335	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0023	0.0335	0.0335
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0065	0.3699	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0065	0.3699	0.8056
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0335	0.0335
Schistosoma mansoni	hypothetical protein	0.0065	0.3699	0.8056
Schistosoma mansoni	hypothetical protein	0.0041	0.1767	0.3848
Brugia malayi	TAR-binding protein	0.0076	0.4591	0.4591
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.4591	1
Schistosoma mansoni	TRABID protein (C64 family)	0.0023	0.0335	0.0729
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0065	0.3699	0.8056
Echinococcus granulosus	ring and YY1 binding protein	0.0023	0.0335	0.0729
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0335	0.0335
Schistosoma mansoni	hypothetical protein	0.0065	0.3699	0.8056
Echinococcus multilocularis	SWI:SNF matrix associated	0.0065	0.3699	0.8056
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.3289	0.3289
Schistosoma mansoni	zinc finger protein	0.0023	0.0335	0.0729
Echinococcus multilocularis	ring and YY1 binding protein	0.0023	0.0335	0.0729
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.4591	1
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0065	0.3699	1
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.4591	0.4591
Leishmania major	hypothetical protein, conserved	0.0023	0.0335	0.5
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0023	0.0335	0.5
Brugia malayi	YY1-associated factor 2	0.0023	0.0335	0.0335
Trypanosoma cruzi	hypothetical protein, conserved	0.0023	0.0335	0.5
Chlamydia trachomatis	SWIB complex protein	0.0065	0.3699	0.5
Schistosoma mansoni	fusion	0.0023	0.0335	0.0729
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0023	0.0335	0.5
Leishmania major	hypothetical protein, conserved	0.0023	0.0335	0.5
Echinococcus multilocularis	SWI:SNF matrix associated	0.0065	0.3699	0.8056
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.4591	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.4591	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0023	0.0335	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0023	0.0335	0.5
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0023	0.0335	0.5
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0065	0.3699	0.3699
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.3289	0.3289
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.4591	0.4591
Leishmania major	hypothetical protein, conserved	0.0023	0.0335	0.5
Brugia malayi	RNA binding protein	0.0076	0.4591	0.4591
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0065	0.3699	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0023	0.0335	0.0335
Schistosoma mansoni	brg-1 associated factor	0.0065	0.3699	0.8056
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.4591	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	1	1
Schistosoma mansoni	hypothetical protein	0.0065	0.3699	0.8056
Echinococcus multilocularis	zinc finger protein Ran binding	0.0023	0.0335	0.0729
Trypanosoma cruzi	hypothetical protein, conserved	0.0023	0.0335	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0335	0.0335
Echinococcus granulosus	tar DNA binding protein	0.0076	0.4591	1
Leishmania major	hypothetical protein, conserved	0.0023	0.0335	0.5
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0023	0.0335	0.0729
Schistosoma mansoni	RNA binding protein	0.0023	0.0335	0.0729
Trypanosoma cruzi	WLM domain containing protein, putative	0.0023	0.0335	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.4591	0.4591
Loa Loa (eye worm)	hypothetical protein	0.006	0.3289	0.3289
Trypanosoma brucei	hypothetical protein, conserved	0.0023	0.0335	0.5
Loa Loa (eye worm)	RNA binding protein	0.0076	0.4591	0.4591
Chlamydia trachomatis	DNA topoisomerase I	0.0065	0.3699	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0335	0.0335
Brugia malayi	SWIB/MDM2 domain containing protein	0.0065	0.3699	0.3699
Onchocerca volvulus		0.0065	0.3699	1
Brugia malayi	brahma associated protein 60 kDa	0.0065	0.3699	0.3699
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0023	0.0335	0.0729

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	6.3096 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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: CHEMBL1878354

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1549593