TDR Targets

Basic information

Technical information

TDR Targets ID: 1603188
Name: N-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl) methyl]-2,1,3-benzoxadiazole-7-sulfonamide
MW: 384.409 | Formula: C18H16N4O4S
H donors: 1 H acceptors: 6 LogP: 2.43 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc2c(c1)cc(c(n2)O)CN(S(=O)(=O)c1cccc2c1non2)C
InChi: 1S/C18H16N4O4S/c1-11-6-7-14-12(8-11)9-13(18(23)19-14)10-22(2)27(24,25)16-5-3-4-15-17(16)21-26-20-15/h3-9H,10H2,1-2H3,(H,19,23)
InChiKey: MXEYOHUIGHTJGT-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-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-N-methyl-benzofurazan-4-sulfonamide
ZINC05208821

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	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
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	ap endonuclease	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 granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	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
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	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
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	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
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, 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
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	ap endonuclease	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
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	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
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	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 mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	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
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	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
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	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
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	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
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	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
Wolbachia endosymbiont of Brugia malayi	exonuclease III	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
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox 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
Treponema pallidum	exodeoxyribonuclease (exoA)	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
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 yoelii	putative AP endonuclease-related	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
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Theileria parva	hypothetical protein	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 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.1153	1	1
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.1153	1	1
Trypanosoma brucei	hypothetical protein, conserved	0.041	0.3428	1
Schistosoma mansoni	hypothetical protein	0.1153	1	1
Leishmania major	hypothetical protein, conserved	0.041	0.3428	1
Echinococcus granulosus	SWI:SNF matrix associated	0.1153	1	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.1153	1	1
Onchocerca volvulus		0.1153	1	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0023	0	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0288	0.0288
Chlamydia trachomatis	DNA topoisomerase I	0.1153	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.041	0.3428	0.3428
Trypanosoma cruzi	hypothetical protein, conserved	0.041	0.3428	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.041	0.3428	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.041	0.3428	0.3428
Loa Loa (eye worm)	hypothetical protein	0.0182	0.1413	0.1413
Trypanosoma cruzi	hypothetical protein, conserved	0.041	0.3428	1
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.1153	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0288	0.0288
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.041	0.3428	1
Loa Loa (eye worm)	hypothetical protein	0.041	0.3428	0.3428
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0	0.5
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.041	0.3428	0.3428
Schistosoma mansoni	TRABID protein (C64 family)	0.041	0.3428	0.3428
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0023	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.1153	1	1
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.041	0.3428	0.2346
Leishmania major	hypothetical protein, conserved	0.041	0.3428	1
Trypanosoma cruzi	hypothetical protein, conserved	0.041	0.3428	1
Loa Loa (eye worm)	brahma associated protein	0.1153	1	1
Leishmania major	hypothetical protein, conserved	0.041	0.3428	1
Brugia malayi	hypothetical protein	0.0182	0.1413	0.1413
Trypanosoma cruzi	WLM domain containing protein, putative	0.041	0.3428	1
Schistosoma mansoni	RNA binding protein	0.041	0.3428	0.3428
Trypanosoma cruzi	WLM domain containing protein, putative	0.041	0.3428	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.041	0.3428	0.3428
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.1153	1	1
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.1153	1	1
Brugia malayi	YY1-associated factor 2	0.041	0.3428	0.3428
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.041	0.3428	0.3428
Chlamydia trachomatis	SWIB complex protein	0.1153	1	0.5
Echinococcus granulosus	geminin	0.0205	0.1609	0.1609
Schistosoma mansoni	hypothetical protein	0.0205	0.1609	0.1609
Schistosoma mansoni	zinc finger protein	0.041	0.3428	0.3428
Brugia malayi	SWIB/MDM2 domain containing protein	0.1153	1	1
Loa Loa (eye worm)	hypothetical protein	0.041	0.3428	0.3428
Leishmania major	hypothetical protein, conserved	0.041	0.3428	1
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.041	0.3428	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.041	0.3428	1
Schistosoma mansoni	fusion	0.041	0.3428	0.3428
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.1153	1	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.1153	1	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.1153	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0288	0.0288
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0288	0.0288
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0	0.5
Onchocerca volvulus		0.041	0.3428	0.2346
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0023	0	0.5
Schistosoma mansoni	hypothetical protein	0.1153	1	1
Trypanosoma brucei	hypothetical protein, conserved	0.041	0.3428	1
Echinococcus multilocularis	zinc finger protein Ran binding	0.041	0.3428	0.3428
Schistosoma mansoni	hypothetical protein	0.0205	0.1609	0.1609
Schistosoma mansoni	brg-1 associated factor	0.1153	1	1
Leishmania major	hypothetical protein, conserved	0.041	0.3428	1
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.1153	1	1
Plasmodium vivax	hypothetical protein, conserved	0.1153	1	1
Echinococcus granulosus	ring and YY1 binding protein	0.041	0.3428	0.3428
Loa Loa (eye worm)	hypothetical protein	0.041	0.3428	0.3428
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.1153	1	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.1153	1	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.041	0.3428	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0288	0.0288
Loa Loa (eye worm)	hypothetical protein	0.041	0.3428	0.3428
Toxoplasma gondii	ran binding protein	0.041	0.3428	0.3428
Onchocerca volvulus		0.041	0.3428	0.2346
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.041	0.3428	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0288	0.0288
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.041	0.3428	0.3428
Echinococcus granulosus	zinc finger protein Ran binding	0.041	0.3428	0.3428
Onchocerca volvulus		0.041	0.3428	0.2346
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.041	0.3428	0.3428
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0288	0.0288
Brugia malayi	brahma associated protein 60 kDa	0.1153	1	1
Schistosoma mansoni	hypothetical protein	0.041	0.3428	0.3428
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0023	0	0.5
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.041	0.3428	0.3428
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.041	0.3428	0.3428
Echinococcus multilocularis	geminin	0.0205	0.1609	0.1609
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0288	0.0288
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.041	0.3428	1
Onchocerca volvulus		0.041	0.3428	0.2346
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.041	0.3428	0.3428
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0288	0.0288
Echinococcus multilocularis	ring and YY1 binding protein	0.041	0.3428	0.3428
Echinococcus granulosus	Zinc finger RanBP2 type	0.041	0.3428	0.3428

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0752 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.2643 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 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

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: CHEMBL1983117

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 1603188