TDR Targets

Basic information

Technical information

TDR Targets ID: 1423591
Name: 4-[5-(4-chlorophenoxy)pentyl]morpholine
MW: 283.794 | Formula: C15H22ClNO2
H donors: 0 H acceptors: 0 LogP: 3.26 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)OCCCCCN1CCOCC1
InChi: 1S/C15H22ClNO2/c16-14-4-6-15(7-5-14)19-11-3-1-2-8-17-9-12-18-13-10-17/h4-7H,1-3,8-13H2
InChiKey: BOLQYFVHOYCAMQ-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

MLS001001593
SMR000496257

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, 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 multilocularis	guanine nucleotide binding protein G(s) subunit	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
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
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
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	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
Echinococcus multilocularis	GPCR, family 2	0.0433	0.3043	0.9341
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0329	0.2274	0.3354
Schistosoma mansoni	apoptosis regulator bax	0.0053	0.0221	0.0326
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0433	0.3043	0.9341
Echinococcus multilocularis	isocitrate dehydrogenase (NAD) subunit	0.004	0.0121	0.0371
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0234	0.0345
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0053	0.0221	0.0679
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0329	0.2274	1
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0329	0.2274	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0329	0.2274	0.6981
Schistosoma mansoni	isocitrate dehydrogenase	0.004	0.0121	0.0178
Brugia malayi	Probable isocitrate dehydrogenase	0.004	0.0121	0.0044
Brugia malayi	Calcitonin receptor-like protein seb-1	0.1368	1	1
Loa Loa (eye worm)	hypothetical protein	0.019	0.124	0.1133
Echinococcus multilocularis	isocitrate dehydrogenase	0.0329	0.2274	0.6981
Schistosoma mansoni	tar DNA-binding protein	0.0462	0.3258	0.4805
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0329	0.2274	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0234	0.0719
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0053	0.0221	0.0326
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0329	0.2274	0.6981
Echinococcus granulosus	isocitrate dehydrogenase NAD	0.004	0.0121	0.0371
Trichomonas vaginalis	isocitrate dehydrogenase, putative	0.004	0.0121	0.5
Schistosoma mansoni	hypothetical protein	0.0053	0.0221	0.0326
Brugia malayi	isocitrate dehydrogenase [NAD] subunit beta, mitochondrial	0.004	0.0121	0.0044
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0329	0.2274	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0234	0.0719
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0433	0.3043	0.2958
Echinococcus granulosus	isocitrate dehydrogenase NAD subunit	0.004	0.0121	0.0371
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0329	0.2274	0.6981
Schistosoma mansoni	Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial	0.004	0.0121	0.0178
Brugia malayi	RNA binding protein	0.0462	0.3258	0.3205
Toxoplasma gondii	isocitrate dehydrogenase	0.0329	0.2274	1
Loa Loa (eye worm)	hypothetical protein	0.0935	0.678	0.6741
Brugia malayi	Latrophilin receptor protein 2	0.0433	0.3043	0.2989
Brugia malayi	isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial	0.004	0.0121	0.0044
Brugia malayi	RNA recognition motif domain containing protein	0.0462	0.3258	0.3205
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0329	0.2274	0.218
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0234	0.0345
Leishmania major	hypothetical protein, conserved	0.0053	0.0217	0.0448
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0234	0.0719
Brugia malayi	latrophilin 2 splice variant baaae	0.0935	0.678	0.6755
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0462	0.3258	0.3175
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0329	0.2274	1
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0329	0.2274	1
Brugia malayi	TAR-binding protein	0.0462	0.3258	0.3205
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0433	0.3043	0.9341
Echinococcus granulosus	GPCR family 2	0.0433	0.3043	0.9341
Schistosoma mansoni	hypothetical protein	0.0433	0.3043	0.4489
Schistosoma mansoni	hypothetical protein	0.0053	0.0221	0.0326
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0234	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0221	0.0102
Schistosoma mansoni	hypothetical protein	0.0053	0.0221	0.0326
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0234	0.0719
Brugia malayi	isocitrate dehydrogenase	0.0329	0.2274	0.2214
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0433	0.3043	0.9341
Toxoplasma gondii	isocitrate dehydrogenase	0.0329	0.2274	1
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0329	0.2274	1
Loa Loa (eye worm)	hypothetical protein	0.0433	0.3043	0.2958
Wolbachia endosymbiont of Brugia malayi	isocitrate dehydrogenase	0.004	0.0121	0.5
Echinococcus multilocularis	tar DNA binding protein	0.0462	0.3258	1
Schistosoma mansoni	tar DNA-binding protein	0.0462	0.3258	0.4805
Mycobacterium ulcerans	3-isopropylmalate dehydrogenase	0.004	0.0121	0.5
Loa Loa (eye worm)	apoptosis regulator protein	0.0053	0.0221	0.0102
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.019	0.124	0.5
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0329	0.2274	0.6981
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0234	0.0158
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0053	0.0221	0.0679
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0053	0.0221	0.0679
Schistosoma mansoni	tar DNA-binding protein	0.0462	0.3258	0.4805
Loa Loa (eye worm)	hypothetical protein	0.1368	1	1
Brugia malayi	hypothetical protein	0.0053	0.0217	0.0141
Schistosoma mansoni	hypothetical protein	0.0433	0.3043	0.4489
Loa Loa (eye worm)	hypothetical protein	0.0286	0.195	0.1851
Schistosoma mansoni	hypothetical protein	0.0433	0.3043	0.4489
Schistosoma mansoni	hypothetical protein	0.0433	0.3043	0.4489
Echinococcus granulosus	tar DNA binding protein	0.0462	0.3258	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0433	0.3043	0.9341
Loa Loa (eye worm)	RNA binding protein	0.0462	0.3258	0.3175
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0217	0.0098
Loa Loa (eye worm)	TAR-binding protein	0.0462	0.3258	0.3175
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.1368	1	1
Brugia malayi	N-terminal motif family protein	0.019	0.124	0.1171
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0329	0.2274	0.6981
Brugia malayi	photoreceptor-specific nuclear receptor	0.0286	0.195	0.1887
Brugia malayi	Isocitrate dehydrogenase subunit gamma, mitochondrial precursor	0.004	0.0121	0.0044
Brugia malayi	Isocitrate dehydrogenase	0.0329	0.2274	0.2214
Schistosoma mansoni	hypothetical protein	0.0935	0.678	1
Entamoeba histolytica	tartrate dehydrogenase, putative	0.004	0.0121	0.5
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0053	0.0221	0.0145
Brugia malayi	Probable isocitrate dehydrogenase	0.004	0.0121	0.0044
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0329	0.2274	1
Mycobacterium leprae	PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH)	0.004	0.0121	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0234	0.0345
Echinococcus multilocularis	isocitrate dehydrogenase (NAD+)	0.004	0.0121	0.0371
Schistosoma mansoni	tar DNA-binding protein	0.0462	0.3258	0.4805
Schistosoma mansoni	tar DNA-binding protein	0.0462	0.3258	0.4805
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.0053	0.0221	0.0679
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0433	0.3043	0.2989
Schistosoma mansoni	unc-13 (munc13)	0.004	0.0121	0.0178

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 43.13 uM	PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluorescence ratio assay - Set 2. (Class of assay: confirmatory)	ChEMBL.	No reference
IC50 (functional)	= 53.9 uM	PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluorescence ratio assay. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	1.4125 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.2387 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)	3.5481 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)	28.1838 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory)	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: CHEMBL1557201

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1423591