TDR Targets

Basic information

Technical information

TDR Targets ID: 1313854
Name: 2-(7-methyl-4-oxopyrido[2,1-d][1,3,5]triazin- 2-yl)sulfanyl-N-naphthalen-1-ylacetamide
MW: 376.432 | Formula: C20H16N4O2S
H donors: 1 H acceptors: 2 LogP: 3.19 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1cccc2c1cccc2)CSc1nc(=O)n2c(n1)ccc(c2)C
InChi: 1S/C20H16N4O2S/c1-13-9-10-17-22-19(23-20(26)24(17)11-13)27-12-18(25)21-16-8-4-6-14-5-2-3-7-15(14)16/h2-11H,12H2,1H3,(H,21,25)
InChiKey: CFRVRGUSHRYBSS-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

2-(7-methyl-4-oxo-pyrido[2,1-d][1,3,5]triazin-2-yl)sulfanyl-N-(1-naphthyl)acetamide
2-[(7-methyl-4-oxo-2-pyrido[2,1-d][1,3,5]triazinyl)thio]-N-(1-naphthyl)acetamide
2-[(4-keto-7-methyl-pyrido[2,1-d][1,3,5]triazin-2-yl)thio]-N-(1-naphthyl)acetamide
2-(7-methyl-4-oxo-pyrido[2,1-d][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-yl-ethanamide
ZINC04499820

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	penicillin-binding protein	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
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
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 japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	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
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
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
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
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
Onchocerca volvulus		0.0015	0.0165	0.1339
Trypanosoma cruzi	hypothetical protein, conserved	0.0015	0.0165	0.0615
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1669	0.295
Brugia malayi	beta-lactamase	0.0043	0.1229	0.2172
Trypanosoma brucei	hypothetical protein, conserved	0.0015	0.0165	0.1339
Brugia malayi	RNA binding protein	0.0069	0.2169	0.3834
Loa Loa (eye worm)	hypothetical protein	0.0162	0.5657	1
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0015	0.0165	0.1339
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1669	0.7693
Echinococcus multilocularis	expressed conserved protein	0.0035	0.0912	0.1613
Echinococcus multilocularis	muscleblind protein 1	0.0162	0.5657	1
Echinococcus multilocularis	conserved hypothetical protein	0.0035	0.0912	0.1613
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0956	0.1689
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1229	0.2172
Mycobacterium ulcerans	hypothetical protein	0.0043	0.1229	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.1229	0.2172
Trypanosoma cruzi	choline/carnitine O-acetyltransferase, putative	0.0015	0.0165	0.0615
Loa Loa (eye worm)	beta-lactamase	0.0043	0.1229	0.2172
Echinococcus granulosus	muscleblind protein	0.0162	0.5657	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0015	0.0165	0.0615
Echinococcus granulosus	hypothetical protein	0.0035	0.0912	0.1613
Trichomonas vaginalis	esterase, putative	0.0043	0.1229	1
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.2169	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1669	0.7693
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0082	0.2674	1
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0015	0.0165	0.0291
Brugia malayi	Muscleblind-like protein	0.0162	0.5657	1
Echinococcus multilocularis	muscleblind protein	0.0162	0.5657	1
Trypanosoma brucei	carnitine O-acetyltransferase, putative	0.0015	0.0165	0.1339
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.1229	0.5664
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1669	0.295
Echinococcus multilocularis	neutral sphingomyelinase	0.0036	0.0956	0.1689
Echinococcus granulosus	choline O acetyltransferase	0.0015	0.0165	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1229	0.2172
Mycobacterium ulcerans	lipase LipD	0.0043	0.1229	1
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.2169	1
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0082	0.2674	0.4727
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.1229	1
Brugia malayi	beta-lactamase family protein	0.0043	0.1229	0.2172
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1669	0.295
Loa Loa (eye worm)	RNA binding protein	0.0069	0.2169	0.3834
Brugia malayi	RNA recognition motif domain containing protein	0.0069	0.2169	0.3834
Leishmania major	hypothetical protein, conserved	0.0043	0.1229	0.424
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.2169	1
Echinococcus granulosus	carnitine O palmitoyltransferase 1 liver	0.0082	0.2674	0.4727
Loa Loa (eye worm)	choline/Carnitine O-acyltransferase	0.0015	0.0165	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1229	0.2172
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.1229	1
Echinococcus multilocularis	tar DNA binding protein	0.0069	0.2169	0.3834
Schistosoma mansoni	choline o-acyltransferase	0.0015	0.0165	0.0758
Trypanosoma cruzi	hypothetical protein, conserved	0.0015	0.0165	0.0615
Echinococcus granulosus	neutral sphingomyelinase	0.0036	0.0956	0.1689
Onchocerca volvulus		0.0043	0.1229	1
Schistosoma mansoni	neutral sphingomyelinase	0.0036	0.0956	0.4406
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1229	0.2172
Loa Loa (eye worm)	choline O-acetyltransferase	0.0015	0.0165	0.0291
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.1229	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.1229	0.2172
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0165	0.0291
Echinococcus multilocularis	carnitine O palmitoyltransferase 1, liver	0.0082	0.2674	0.4727
Trypanosoma brucei	carnitine O-palmitoyltransferase, putative	0.0015	0.0165	0.1339
Onchocerca volvulus	Putative neutral sphingomyelinase	0.0036	0.0956	0.7779
Loa Loa (eye worm)	TAR-binding protein	0.0069	0.2169	0.3834
Trypanosoma cruzi	carnitine O-palmitoyltransferase II, putative	0.0015	0.0165	0.0615
Onchocerca volvulus		0.0015	0.0165	0.1339
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.1229	0.4594
Toxoplasma gondii	ABC1 family protein	0.0043	0.1229	1
Brugia malayi	Choline O-acetyltransferase	0.0015	0.0165	0.0291
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.1229	0.4594
Loa Loa (eye worm)	carnitine O-palmitoyltransferase I isoform	0.0015	0.0165	0.0291
Echinococcus granulosus	tar DNA binding protein	0.0069	0.2169	0.3834
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.1229	0.2172
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0069	0.2169	0.3834
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0015	0.0165	0.0291
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.1229	1
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0015	0.0165	0.1339
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.1229	0.2172
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0015	0.0165	0.0615
Brugia malayi	TAR-binding protein	0.0069	0.2169	0.3834
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.2169	1
Echinococcus granulosus	carnitine O palmitoyltransferase 2	0.0015	0.0165	0.0291
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.2169	1
Brugia malayi	Choline O-acetyltransferase	0.0015	0.0165	0.0291
Schistosoma mansoni	choline o-acyltransferase	0.0015	0.0165	0.0758
Brugia malayi	beta-lactamase family protein	0.0043	0.1229	0.2172
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.1229	1
Loa Loa (eye worm)	hypothetical protein	0.0162	0.5657	1
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0015	0.0165	0.0615
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.1229	1
Echinococcus multilocularis	carnitine O palmitoyltransferase 2	0.0015	0.0165	0.0291
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1669	0.7693
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.1229	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.2674	0.4727
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1669	0.295
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1669	0.295
Brugia malayi	Endonuclease/Exonuclease/phosphatase family protein	0.0036	0.0956	0.1689
Onchocerca volvulus		0.0015	0.0165	0.1339
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0082	0.2674	1
Onchocerca volvulus		0.0043	0.1229	1
Onchocerca volvulus		0.0015	0.0165	0.1339
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1669	0.295
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.1229	0.5664
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0015	0.0165	0.0615
Mycobacterium ulcerans	beta-lactamase	0.0043	0.1229	1
Trypanosoma cruzi	carnitine O-acetyltransferase, putative	0.0015	0.0165	0.0615
Mycobacterium leprae	Probable lipase LipE	0.0043	0.1229	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1229	0.2172
Trypanosoma cruzi	hypothetical protein, conserved	0.0015	0.0165	0.0615
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.1229	1
Onchocerca volvulus		0.0043	0.1229	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1229	0.2172
Trypanosoma cruzi	hypothetical protein, conserved	0.0015	0.0165	0.0615
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.1229	1
Echinococcus granulosus	expressed conserved protein	0.0035	0.0912	0.1613
Echinococcus multilocularis	choline O acetyltransferase	0.0015	0.0165	0.0291
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.1229	1
Leishmania major	choline/Carnitine o-acyltransferase-like protein	0.0082	0.2674	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.3162 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)	19.9526 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: CHEMBL1456561

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 1313854