TDR Targets

Basic information

Technical information

TDR Targets ID: 1066659
Name: N-[3-(4-chlorophenyl)-1-methyl-4-oxoquinolin- 2-yl]furan-2-carboxamide
MW: 378.808 | Formula: C21H15ClN2O3
H donors: 1 H acceptors: 2 LogP: 4.4 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)c1c(NC(=O)c2ccco2)n(C)c2c(c1=O)cccc2
InChi: 1S/C21H15ClN2O3/c1-24-16-6-3-2-5-15(16)19(25)18(13-8-10-14(22)11-9-13)20(24)23-21(26)17-7-4-12-27-17/h2-12H,1H3,(H,23,26)
InChiKey: BSZAYSRNOCQEDG-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-[3-(4-chlorophenyl)-1-methyl-4-oxo-2-quinolyl]furan-2-carboxamide
N-[3-(4-chlorophenyl)-1-methyl-4-oxo-2-quinolyl]-2-furancarboxamide
N-[3-(4-chlorophenyl)-4-keto-1-methyl-2-quinolyl]-2-furamide
N-[3-(4-chlorophenyl)-1-methyl-4-oxo-quinolin-2-yl]furan-2-carboxamide
Furan-2-carboxylic acid [3-(4-chloro-phenyl)-1-methyl-4-oxo-1,4-dihydro-quinolin-2-yl]-amide
MLS000558973
SMR000149289
ZINC02445048

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	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)	RNA recognition domain-containing protein domain-containing 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 japonicum	TAR DNA-binding protein 43, putative	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)	RNA binding 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 multilocularis	tar DNA binding 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
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	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

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	tumor susceptibility gene 101 protein	0.0075	0.0708	0.0639
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0729	0.066
Echinococcus granulosus	tumor susceptibility gene 101 protein	0.0075	0.0708	0.0639
Echinococcus multilocularis	muscleblind protein	0.0161	0.1904	0.1843
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.0114	0.004
Echinococcus multilocularis	muscleblind protein 1	0.0161	0.1904	0.1843
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0352	0.028
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.0114	0.004
Loa Loa (eye worm)	transcription factor SMAD2	0.0129	0.1455	0.3131
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0729	0.1485
Loa Loa (eye worm)	hypothetical protein	0.0161	0.1904	0.415
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0121	0.1343	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0121	0.1343	1
Brugia malayi	Pre-SET motif family protein	0.0224	0.2783	0.6145
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0098	0.0023
Trypanosoma brucei	glucosidase, putative	0.0039	0.0208	0.1552
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0121	0.1343	1
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0121	0.1343	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0039	0.0208	0.0304
Schistosoma mansoni	tsg101-related	0.0062	0.0534	0.0463
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0352	0.028
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0208	0.0112
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0729	0.1485
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0039	0.0208	0.0112
Schistosoma mansoni	microtubule-associated protein tau	0.0744	1	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0039	0.0208	0.0112
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0729	0.066
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0176	0.2107	0.2047
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0176	0.2107	0.461
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0121	0.1343	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0729	0.066
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0729	0.1485
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0208	0.0112
Echinococcus multilocularis	microtubule associated protein 2	0.0744	1	1
Onchocerca volvulus		0.0255	0.3214	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0129	0.1455	0.3131
Loa Loa (eye worm)	tumor suppressor	0.0347	0.4482	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0121	0.1343	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0352	0.028
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0114	0.004
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0039	0.0208	1
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0121	0.1343	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0208	0.0112
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0208	0.1552
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0224	0.2783	0.6145
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0039	0.0208	0.0135
Onchocerca volvulus		0.0102	0.1078	0.311
Brugia malayi	MH2 domain containing protein	0.0129	0.1455	0.3131
Brugia malayi	hypothetical protein	0.0075	0.0708	0.1438
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0208	0.0112
Echinococcus granulosus	muscleblind protein	0.0161	0.1904	0.1843
Brugia malayi	RNA binding protein	0.0076	0.0729	0.1485
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0729	0.066
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0114	0.009
Trypanosoma brucei	calpain, putative	0.0121	0.1343	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0114	0.004
Brugia malayi	TAR-binding protein	0.0076	0.0729	0.1485
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0039	0.0208	0.0112
Brugia malayi	Muscleblind-like protein	0.0161	0.1904	0.415
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0176	0.2107	0.461
Leishmania major	alpha glucosidase II subunit, putative	0.0039	0.0208	0.1552
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0208	0.0112
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0729	0.066
Schistosoma mansoni	alpha glucosidase	0.0039	0.0208	0.0135
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0121	0.1343	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0176	0.2107	0.2047
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0729	0.1485
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0729	0.066
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0352	0.0629
Plasmodium vivax	SET domain protein, putative	0.0032	0.0114	0.5
Schistosoma mansoni	tsg101-related	0.0062	0.0534	0.0463
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0352	0.028
Brugia malayi	Pre-SET motif family protein	0.0032	0.0114	0.009
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0114	0.004
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0121	0.1343	1
Schistosoma mansoni	alpha-glucosidase	0.0151	0.1767	0.1705
Schistosoma mansoni	tsg101-related	0.0051	0.0375	0.0303
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0121	0.1343	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0039	0.0208	0.0112
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0121	0.1343	1
Trypanosoma brucei	hypothetical protein	0.0121	0.1343	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0114	0.004
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0208	0.1552
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0039	0.0208	0.0304
Echinococcus granulosus	neutral alpha glucosidase AB	0.0039	0.0208	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0161	0.1904	0.415
Trichomonas vaginalis	set domain proteins, putative	0.0255	0.3214	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0352	0.0629
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0352	0.028
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0121	0.1343	1
Trypanosoma brucei	variant surface glycoprotein (VSG), putative	0.0121	0.1343	1
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0121	0.1343	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0729	0.066
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0121	0.1343	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0352	0.028
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0352	0.028
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0708	0.1438
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.0114	0.004
Echinococcus granulosus	lysosomal alpha glucosidase	0.0176	0.2107	0.2047
Schistosoma mansoni	alpha-glucosidase	0.0151	0.1767	0.1705
Entamoeba histolytica	tumor susceptibility gene 101 protein, putative	0.0051	0.0375	1
Trypanosoma brucei	calpain-like protein, putative	0.0121	0.1343	1
Brugia malayi	tumor suppressor.	0.0347	0.4482	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.5012 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 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)	100 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

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: CHEMBL1867858

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1066659