TDR Targets

Basic information

Technical information

TDR Targets ID: 729336
Name: 1-(4-chloronaphthalen-1-yl)sulfonylpyrrolidin e
MW: 295.784 | Formula: C14H14ClNO2S
H donors: 0 H acceptors: 2 LogP: 3.44 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(c2c1cccc2)S(=O)(=O)N1CCCC1
InChi: 1S/C14H14ClNO2S/c15-13-7-8-14(12-6-2-1-5-11(12)13)19(17,18)16-9-3-4-10-16/h1-2,5-8H,3-4,9-10H2
InChiKey: FPFZRYPVIPRVLO-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-chloro-1-naphthyl)sulfonyl]pyrrolidine
SMR000275563
1-(4-Chloro-naphthalene-1-sulfonyl)-pyrrolidine
BAS 06731820
ZINC00802675
T5577975
MLS000715584

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	Rap guanine nucleotide exchange factor (GEF) 3	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	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)	hypothetical protein	Get druggable targets OG5_131726	All targets in OG5_131726
Brugia malayi	N-terminal motif family protein	Get druggable targets OG5_131726	All targets in OG5_131726
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	Get druggable targets OG5_131726	All targets in OG5_131726

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	tar DNA binding protein	0.0188	0.3728	0.4563
Plasmodium falciparum	ataxin-2 like protein, putative	0.005	0.0537	0.5
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1055	0.2103
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0215	0.2038
Plasmodium falciparum	ataxin-2 like protein, putative	0.005	0.0537	0.5
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0215	0.2038
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0026	0	0.5
Onchocerca volvulus		0.0072	0.1055	0.1006
Echinococcus granulosus	GPCR family 2	0.0033	0.0161	0.0198
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.1055	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.005	0.0537	0.3833
Entamoeba histolytica	hypothetical protein	0.0037	0.0236	1
Loa Loa (eye worm)	hypothetical protein	0.0171	0.332	0.7436
Echinococcus granulosus	beta LACTamase domain containing family member	0.0072	0.1055	0.1291
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1055	0.2103
Mycobacterium tuberculosis	Conserved protein	0.0072	0.1055	0.1055
Mycobacterium tuberculosis	Probable hydrolase	0.0072	0.1055	0.1055
Brugia malayi	TAR-binding protein	0.0188	0.3728	0.8409
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0215	0.2038
Schistosoma mansoni	alpha-glucosidase	0.0138	0.2576	0.691
Brugia malayi	beta-lactamase family protein	0.0072	0.1055	0.2157
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0161	0.0198
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0105	0.1817	0.3899
Schistosoma mansoni	hypothetical protein	0.0033	0.0161	0.0433
Mycobacterium tuberculosis	Conserved protein	0.0072	0.1055	0.1055
Loa Loa (eye worm)	hypothetical protein	0.005	0.0537	0.0884
Loa Loa (eye worm)	TAR-binding protein	0.0188	0.3728	0.8398
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0072	0.1055	0.2103
Echinococcus granulosus	lysosomal alpha glucosidase	0.0161	0.3091	0.3783
Echinococcus granulosus	neutral alpha glucosidase AB	0.0036	0.0215	0.0263
Mycobacterium leprae	conserved hypothetical protein	0.0072	0.1055	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0072	0.1055	1
Mycobacterium leprae	Probable lipase LipE	0.0072	0.1055	1
Loa Loa (eye worm)	hypothetical protein	0.0218	0.4409	1
Schistosoma mansoni	tar DNA-binding protein	0.0188	0.3728	1
Plasmodium vivax	hypothetical protein, conserved	0.0072	0.1055	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.1055	1
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0161	0.0068
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0161	0.3091	0.3783
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0105	0.1817	0.3941
Toxoplasma gondii	ABC1 family protein	0.0072	0.1055	1
Brugia malayi	RNA binding protein	0.0188	0.3728	0.8409
Trichomonas vaginalis	esterase, putative	0.0072	0.1055	1
Schistosoma mansoni	hypothetical protein	0.0037	0.0236	0.0633
Treponema pallidum	bacterioferrin (TpF1)	0.0026	0	0.5
Loa Loa (eye worm)	beta-lactamase	0.0072	0.1055	0.2103
Trypanosoma cruzi	hypothetical protein, conserved	0.0072	0.1055	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1051	0.2094
Onchocerca volvulus		0.0072	0.1055	0.1006
Brugia malayi	beta-lactamase	0.0072	0.1055	0.2157
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0161	0.0198
Trichomonas vaginalis	penicillin-binding protein, putative	0.0072	0.1055	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1055	0.2103
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0072	0.1055	0.1055
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0072	0.1055	0.1055
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.1055	0.2829
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0161	0.0068
Schistosoma mansoni	alpha-glucosidase	0.0138	0.2576	0.691
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0236	0.0289
Brugia malayi	hypothetical protein	0.005	0.0537	0.0946
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0161	0.3091	0.6897
Entamoeba histolytica	hypothetical protein	0.0037	0.0236	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0072	0.1055	0.2157
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0236	0.0633
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1055	0.2103
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1055	0.2103
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0036	0.0215	0.2038
Schistosoma mansoni	tar DNA-binding protein	0.0188	0.3728	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0236	0.0289
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0215	0.2038
Echinococcus granulosus	tumor protein p63	0.0382	0.8171	1
Schistosoma mansoni	hypothetical protein	0.0033	0.0161	0.0433
Mycobacterium ulcerans	esterase/lipase LipP	0.0072	0.1055	1
Brugia malayi	N-terminal motif family protein	0.0218	0.4409	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0161	0.0198
Trypanosoma cruzi	PAB1-binding protein , putative	0.005	0.0537	0.3833
Toxoplasma gondii	LsmAD domain-containing protein	0.005	0.0537	0.3833
Trichomonas vaginalis	penicillin-binding protein, putative	0.0072	0.1055	1
Schistosoma mansoni	tar DNA-binding protein	0.0188	0.3728	1
Loa Loa (eye worm)	RNA binding protein	0.0188	0.3728	0.8398
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0161	0.0198
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0679	0.122
Schistosoma mansoni	hypothetical protein	0.0072	0.1051	0.2819
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0161	0.0198
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0072	0.1055	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0215	0.2038
Brugia malayi	hypothetical protein	0.0171	0.332	0.7453
Mycobacterium ulcerans	lipase LipD	0.0072	0.1055	1
Onchocerca volvulus		0.0072	0.1055	0.1006
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0215	0.2038
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0188	0.3728	0.8398
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0161	0.3091	0.3783
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1817	0.3899
Trypanosoma brucei	PAB1-binding protein , putative	0.005	0.0537	0.3833
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0036	0.0215	0.0263
Echinococcus multilocularis	tumor protein p63	0.0382	0.8171	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.1055	1
Schistosoma mansoni	cellular tumor antigen P53	0.0056	0.0679	0.1822
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0161	0.3091	0.6918
Onchocerca volvulus		0.0171	0.332	0.708
Entamoeba histolytica	hypothetical protein	0.0037	0.0236	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0236	1
Echinococcus granulosus	tar DNA binding protein	0.0188	0.3728	0.4563
Mycobacterium ulcerans	beta-lactamase	0.0072	0.1055	1
Trypanosoma brucei	hypothetical protein, conserved	0.0072	0.1055	1
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0036	0.0215	0.2038
Mycobacterium tuberculosis	Probable lipase LipE	0.0072	0.1055	0.1055
Leishmania major	hypothetical protein, conserved	0.0072	0.1055	1
Schistosoma mansoni	alpha glucosidase	0.0036	0.0215	0.0577
Brugia malayi	beta-lactamase family protein	0.0072	0.1055	0.2157
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0036	0.0215	0.0126
Leishmania major	hypothetical protein, conserved	0.005	0.0537	0.3833
Onchocerca volvulus		0.0093	0.1533	0.2287
Schistosoma mansoni	hypothetical protein	0.0033	0.0161	0.0433
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0072	0.1055	0.1291
Brugia malayi	latrophilin 2 splice variant baaae	0.0072	0.1051	0.2148
Brugia malayi	RNA recognition motif domain containing protein	0.0188	0.3728	0.8409
Schistosoma mansoni	tar DNA-binding protein	0.0188	0.3728	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.1055	0.2829
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0218	0.4409	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0036	0.0215	0.0194
Mycobacterium tuberculosis	Conserved protein	0.0072	0.1055	0.1055
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1055	0.2103
Schistosoma mansoni	tar DNA-binding protein	0.0188	0.3728	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0215	0.2038
Schistosoma mansoni	hypothetical protein	0.0033	0.0161	0.0433
Mycobacterium tuberculosis	Probable lipase LipD	0.0072	0.1055	0.1055
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0072	0.1055	0.1055
Mycobacterium ulcerans	hypothetical protein	0.0072	0.1055	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0072	0.1055	0.1055
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0105	0.1817	0.3941
Brugia malayi	hypothetical protein	0.0037	0.0236	0.0243

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	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)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 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)	79.4328 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

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: CHEMBL1497811
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 729336