TDR Targets

Basic information

Technical information

TDR Targets ID: 1293339
Name: 1-(4-naphthalen-1-yloxybutyl)pyrrolidine
MW: 269.381 | Formula: C18H23NO
H donors: 0 H acceptors: 0 LogP: 4.38 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: C(COc1cccc2c1cccc2)CCN1CCCC1
InChi: 1S/C18H23NO/c1-2-10-17-16(8-1)9-7-11-18(17)20-15-6-5-14-19-12-3-4-13-19/h1-2,7-11H,3-6,12-15H2
InChiKey: GAUZOGMZSRGFOV-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-[4-(1-naphthyloxy)butyl]pyrrolidine
SMR000496267
MLS001001201

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
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
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
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:K10771 AP endonuclease 1, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Theileria parva	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi	exonuclease III	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768

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
Schistosoma mansoni	ap endonuclease	0.0023	0.34	0.34
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.34	1
Trichomonas vaginalis	sphingomyelinase C 2 precursor, putative	0.0005	0.0216	0.0587
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0542	0.155
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.9113	0.9113
Plasmodium falciparum	carbon catabolite repressor protein 4, putative	0.0005	0.0216	0.0636
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0542	0.155
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0.34	0.5
Schistosoma mansoni	nocturnin	0.0005	0.0216	0.0216
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0023	0.34	1
Entamoeba histolytica	endonuclease/exonuclease/phosphatase family protein	0.0005	0.0216	0.0636
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0023	0.34	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0542	0.155
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0956	0.0831
Entamoeba histolytica	endonuclease/exonuclease/phosphatase family protein	0.0005	0.0216	0.0636
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.9113	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0956	0.0831
Echinococcus granulosus	cpg binding protein	0.003	0.4688	0.5026
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.34	0.3578
Toxoplasma gondii	exonuclease III APE	0.0023	0.34	0.3679
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0023	0.34	1
Schistosoma mansoni	cpg binding protein	0.0028	0.4403	0.4403
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.34	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0542	0.155
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0542	0.155
Trichomonas vaginalis	Phospholipase C precursor, putative	0.0005	0.0216	0.0587
Entamoeba histolytica	endonuclease/exonuclease/phosphatase family protein	0.0005	0.0216	0.0636
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0023	0.34	1
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0651	0.0489
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0542	0.155
Trichomonas vaginalis	carbon catabolite repressor protein, putative	0.0005	0.0216	0.0587
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0023	0.34	1
Plasmodium falciparum	carbon catabolite repressor protein 4, putative	0.0005	0.0216	0.0636
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0023	0.34	0.5
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0956	0.0831
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.9113	1
Brugia malayi	CXXC zinc finger family protein	0.0028	0.4403	0.4706
Trichomonas vaginalis	ocrl type II inositol 5-phosphatase, putative	0.0005	0.0216	0.0587
Trichomonas vaginalis	helicase, putative	0.0006	0.0542	0.155
Entamoeba histolytica	endonuclease/exonuclease/phosphatase family protein	0.0005	0.0216	0.0636
Entamoeba histolytica	inositol polyphosphate 5-phosphatase, putative	0.0005	0.0216	0.0636
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.9113	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0542	0.155
Trichomonas vaginalis	type II inositol 5-phosphatase, putative	0.0005	0.0216	0.0587
Entamoeba histolytica	endonuclease/exonuclease/phosphatase domain containing protein	0.0005	0.0216	0.0636
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.9113	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.9113	0.9113
Trichomonas vaginalis	type IV inositol 5-phosphatase, putative	0.0005	0.0216	0.0587
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0023	0.34	1
Schistosoma mansoni	cpg binding protein	0.003	0.4688	0.4688
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0542	0.155
Schistosoma mansoni	carbon catabolite repressor protein	0.0005	0.0216	0.0216
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.34	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0542	0.155
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.34	1
Schistosoma mansoni	cpg binding protein	0.003	0.4688	0.4688
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0542	0.155
Entamoeba histolytica	endonuclease/exonuclease/phosphatase family protein	0.0005	0.0216	0.0636
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0542	0.155
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0542	0.155
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0651	0.0489
Entamoeba histolytica	inositol polyphosphate-5-phosphatase, putative	0.0005	0.0216	0.0636
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.9113	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0651	0.0651
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0936	0.0809
Entamoeba histolytica	endonuclease/exonuclease/phosphatase family protein	0.0005	0.0216	0.0636
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0023	0.34	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0542	0.155
Entamoeba histolytica	sphingomyelinase C precursor, putative	0.0005	0.0216	0.0636
Schistosoma mansoni	synaptojanin	0.0005	0.0216	0.0216
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0542	0.155
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.8869	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0651	0.0489
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.4403	0.4706
Trichomonas vaginalis	carbon catabolite repressor protein, putative	0.0005	0.0216	0.0587
Plasmodium falciparum	exodeoxyribonuclease III, putative	0.0005	0.0216	0.0636
Trichomonas vaginalis	carbon catabolite repressor protein, putative	0.0005	0.0216	0.0587
Schistosoma mansoni	ap endonuclease	0.0023	0.34	0.34
Plasmodium falciparum	endonuclease/exonuclease/phosphatase family protein, putative	0.0005	0.0216	0.0636
Echinococcus multilocularis	cpg binding protein	0.003	0.4688	0.5026
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.34	0.3578
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0127	0.0127
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0542	0.155
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0542	0.155
Trichomonas vaginalis	skeletal muscle/kidney enriched inositol 5-phosphatase, putative	0.0005	0.0216	0.0587
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0651	0.0489
Schistosoma mansoni	hypothetical protein	0.0005	0.0216	0.0216
Schistosoma mansoni	synaptojanin	0.0005	0.0216	0.0216
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.34	1
Entamoeba histolytica	endonuclease/exonuclease/phosphatase domain containing protein	0.0005	0.0216	0.0636
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.34	0.3578
Plasmodium falciparum	DNase I-like protein, putative	0.0005	0.0216	0.0636
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.34	0.3578
Schistosoma mansoni	cript-related	0.0005	0.0216	0.0216
Schistosoma mansoni	ocrl type II inositol 5-phosphatase	0.0005	0.0216	0.0216
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0542	0.155
Schistosoma mansoni	neutral sphingomyelinase	0.0005	0.0216	0.0216
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.9113	0.9113
Onchocerca volvulus		0.0028	0.4403	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.9113	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.4744 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.9285 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)	11.2202 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)	28.1838 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	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: CHEMBL1404534

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1293339