TDR Targets

Basic information

Technical information

TDR Targets ID: 830723
Name: N-(4-chlorophenyl)-2-(methyl-quinolin-8-ylsul fonylamino)acetamide
MW: 389.856 | Formula: C18H16ClN3O3S
H donors: 1 H acceptors: 4 LogP: 2.87 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CN(S(=O)(=O)c1cccc2c1nccc2)C)Nc1ccc(cc1)Cl
InChi: 1S/C18H16ClN3O3S/c1-22(12-17(23)21-15-9-7-14(19)8-10-15)26(24,25)16-6-2-4-13-5-3-11-20-18(13)16/h2-11H,12H2,1H3,(H,21,23)
InChiKey: ZJFUQCJVOTYIML-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

N-(4-chlorophenyl)-2-(methyl-(8-quinolylsulfonyl)amino)acetamide
N-(4-chlorophenyl)-2-(methyl-quinolin-8-ylsulfonyl-amino)ethanamide
MLS000119099
SMR000096038

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Bacillus anthracis	Anthrax lethal factor	Starlite/ChEMBL	No references
Homo sapiens	ubiquitin specific peptidase 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
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
Loa Loa (eye worm)	phosphatidylinositol 3	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0138	0.3062
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0091	0.0449	1
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0051	0.0138	0.0092
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0051	0.0138	0.2269
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0184	0.4087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0051	0.0138	0.0414
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0075	0.1674
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0075	0.1674
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0075	0.0723
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0075	0.0723
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0075	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0138	0.3062
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0075	0.1674
Trichomonas vaginalis	conserved hypothetical protein	0.0057	0.0184	0.4087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0091	0.0449	1
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0091	0.0449	0.1105
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0091	0.0449	0.0405
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0051	0.0138	0.2269
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Mycobacterium ulcerans	lipase LipD	0.0043	0.0075	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0206	0.3974
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0091	0.0449	0.1105
Brugia malayi	beta-lactamase	0.0043	0.0075	0.0723
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0091	0.0449	0.1105
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0057	0.0184	0.2898
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0075	0.1674
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0046	0.1025
Leishmania major	hypothetical protein, conserved	0.0475	0.3462	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0206	0.4592
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0051	0.0138	0.2269
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0091	0.0449	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0051	0.0138	0.1667
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0091	0.0449	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0091	0.0449	0.0405
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0075	0.5
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0138	0.3062
Brugia malayi	beta-lactamase family protein	0.0043	0.0075	0.0723
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0075	0.0029
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0075	0.0226
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0138	0.3062
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0075	0.0029
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0138	0.3062
Echinococcus multilocularis	serine protein kinase ATM	0.0051	0.0138	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0057	0.1268
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Onchocerca volvulus		0.0043	0.0075	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0138	0.3062
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0091	0.0449	1
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0091	0.0449	0.1105
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0138	0.3062
Schistosoma mansoni	hypothetical protein	0.0041	0.0057	0.027
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0091	0.0449	0.0405
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0091	0.0449	0.1352
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0075	0.0226
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0075	0.1674
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0091	0.0449	1
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0075	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0051	0.0138	0.0092
Trypanosoma cruzi	hypothetical protein, conserved	0.0458	0.3325	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0206	0.4592
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0075	0.5
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0057	0.0184	0.2898
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Onchocerca volvulus		0.0043	0.0075	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0075	0.1674
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0091	0.0449	0.1352
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0051	0.0138	0.0414
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.1913	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0206	0.3974
Toxoplasma gondii	FATC domain-containing protein	0.0051	0.0138	0.1667
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0091	0.0449	0.1352
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0091	0.0449	0.1352
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0075	0.1674
Trypanosoma cruzi	target of rapamycin kinase 3	0.0091	0.0449	0.1352
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0075	0.5
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0075	0.1674
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0075	0.1674
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0057	0.0184	0.4087
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.1309	1	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0091	0.0449	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0091	0.0449	1
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0091	0.0449	0.0405
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0057	0.027
Trichomonas vaginalis	esterase, putative	0.0043	0.0075	0.1674
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0138	0.3062
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0046	0.1025
Onchocerca volvulus		0.0043	0.0075	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0075	0.1674
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0091	0.0449	0.1105
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0075	0.1674
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0075	0.1674
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0075	0.1674
Giardia lamblia	GTOR	0.0091	0.0449	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0051	0.0138	0.2269
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0138	0.3062
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0075	0.5
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0075	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0075	0.0723
Echinococcus granulosus	serine protein kinase ATM	0.0051	0.0138	0.0092
Brugia malayi	beta-lactamase family protein	0.0043	0.0075	0.0723
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0091	0.0449	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1.2589 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	5.0119 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 7.9433 um	PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.4179 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 Assay for Inhibitors of Influenza NS1 Protein Function. (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 ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 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)	50.1187 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 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

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: CHEMBL1446444
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 830723