TDR Targets

Basic information

Technical information

TDR Targets ID: 46209
Name: 1,1-dioxo-N-[(1R)-1-phenylethyl]-4H-pyrido[2, 3-e][1,2,4]thiadiazin-3-amine
MW: 302.352 | Formula: C14H14N4O2S
H donors: 2 H acceptors: 3 LogP: 1.37 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: C[C@H](c1ccccc1)NC1=NS(=O)(=O)c2c(N1)nccc2
InChi: 1S/C14H14N4O2S/c1-10(11-6-3-2-4-7-11)16-14-17-13-12(8-5-9-15-13)21(19,20)18-14/h2-10H,1H3,(H2,15,16,17,18)/t10-/m1/s1
InChiKey: KVIYJNLHLWZSDA-SNVBAGLBSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

(1,1-diketo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-yl)-[(1R)-1-phenylethyl]amine

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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	subfamily S1A unassigned peptidase (S01 family)	0.0055	0.0202	0.0202
Brugia malayi	Trypsin family protein	0.0421	0.4599	0.6626
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0055	0.0202	0.0202
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0069	0.0362	0.041
Echinococcus multilocularis	tissue type plasminogen activator	0.0124	0.1027	0.1027
Schistosoma mansoni	cercarial elastase (S01 family)	0.0055	0.0202	0.0292
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.0616	0.694	1
Echinococcus multilocularis	enteropeptidase	0.0055	0.0202	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0202	0.0177
Loa Loa (eye worm)	TK/ROR protein kinase	0.0124	0.1027	0.1379
Schistosoma mansoni	cercarial elastase (S01 family)	0.0055	0.0202	0.0292
Echinococcus granulosus	enteropeptidase	0.0055	0.0202	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0204	0.0179
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0055	0.0202	0.0292
Echinococcus multilocularis	Niemann Pick C1 protein	0.0106	0.0806	0.0806
Schistosoma mansoni	egf-like domain protein	0.0069	0.0362	0.0522
Schistosoma mansoni	apoptosis regulator bax	0.0616	0.694	1
Echinococcus granulosus	Mastin	0.0055	0.0202	0.0292
Schistosoma mansoni	hypothetical protein	0.0124	0.1027	0.148
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0202	0.0177
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0055	0.0202	0.0292
Brugia malayi	CHE-14 protein	0.0045	0.0081	0.0117
Schistosoma mansoni	cercarial elastase (S01 family)	0.0055	0.0202	0.0292
Echinococcus multilocularis	protein dispatched 1	0.0052	0.0158	0.0158
Schistosoma mansoni	cercarial elastase (S01 family)	0.0055	0.0202	0.0292
Schistosoma mansoni	cercarial elastase (S01 family)	0.0055	0.0202	0.0292
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0081	0.5
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0362	0.041
Onchocerca volvulus		0.0124	0.1027	0.1876
Echinococcus multilocularis	transmembrane protease serine 3	0.0055	0.0202	0.0202
Echinococcus granulosus	tissue type plasminogen activator	0.0124	0.1027	0.148
Loa Loa (eye worm)	apoptosis regulator protein	0.0616	0.694	1
Schistosoma mansoni	hypothetical protein	0.0616	0.694	1
Loa Loa (eye worm)	hypothetical protein	0.0616	0.694	1
Echinococcus granulosus	Tolloid protein 1	0.0069	0.0362	0.0522
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0106	0.0806	1
Brugia malayi	Kringle domain containing protein	0.0124	0.1027	0.148
Schistosoma mansoni	hypothetical protein	0.0055	0.0202	0.0292
Plasmodium falciparum	cysteine repeat modular protein 1	0.0124	0.1027	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0055	0.0202	0.0292
Echinococcus granulosus	Protein patched homolog 1	0.0045	0.0081	0.0117
Trypanosoma cruzi	hypothetical protein, conserved	0.0124	0.1027	0.5
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0616	0.694	0.694
Echinococcus multilocularis	expressed conserved protein	0.0099	0.0729	0.0729
Onchocerca volvulus		0.0421	0.4599	1
Echinococcus multilocularis	Tolloid protein 1	0.0069	0.0362	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0362	0.041
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0055	0.0202	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0362	0.041
Echinococcus multilocularis	glycoprotein Antigen 5	0.0055	0.0202	0.0202
Brugia malayi	Trypsin family protein	0.0055	0.0202	0.0292
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0421	0.4599	0.6626
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0202	0.0177
Brugia malayi	Trypsin family protein	0.0055	0.0202	0.0292
Brugia malayi	Trypsin family protein	0.0055	0.0202	0.0292
Echinococcus multilocularis	sterol regulatory element binding protein	0.0045	0.0081	0.0081
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0069	0.0362	0.041
Schistosoma mansoni	cercarial elastase (S01 family)	0.0055	0.0202	0.0292
Schistosoma mansoni	hypothetical protein	0.0044	0.0061	0.0088
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0616	0.694	0.694
Schistosoma mansoni	hypothetical protein	0.0044	0.0061	0.0088
Brugia malayi	Calcium binding EGF domain containing protein	0.0069	0.0362	0.0522
Schistosoma mansoni	hypothetical protein	0.0616	0.694	1
Echinococcus granulosus	transmembrane protease serine 3	0.0055	0.0202	0.0292
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0069	0.0362	0.041
Echinococcus multilocularis	fibrillin 1	0.0069	0.0362	0.0362
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0055	0.0202	0.0292
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0107	0.0826	0.119
Brugia malayi	Trypsin-like protease protein 5	0.0055	0.0202	0.0292
Schistosoma mansoni	cercarial elastase (S01 family)	0.0055	0.0202	0.0292
Loa Loa (eye worm)	transcription factor SMAD2	0.0128	0.1076	0.1451
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0069	0.0362	0.0522
Echinococcus granulosus	glycoprotein Antigen 5	0.0055	0.0202	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0362	0.041
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0124	0.1027	0.5
Echinococcus multilocularis	protein patched	0.0045	0.0081	0.0081
Brugia malayi	Protein kinase domain containing protein	0.0124	0.1027	0.148
Leishmania major	hypothetical protein, conserved	0.0124	0.1027	0.5
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0421	0.4599	0.6626
Echinococcus granulosus	sterol regulatory element binding protein	0.0045	0.0081	0.0117
Loa Loa (eye worm)	trypsin family protein	0.0055	0.0202	0.0177
Brugia malayi	Niemann-Pick C1 protein precursor	0.0106	0.0806	0.1162
Echinococcus granulosus	laminin	0.0069	0.0362	0.0522
Loa Loa (eye worm)	hypothetical protein	0.0421	0.4599	0.6587
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0362	0.041
Echinococcus granulosus	Niemann Pick C1 protein	0.0106	0.0806	0.1162
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0616	0.694	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0202	0.0177
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0055	0.0202	0.0292
Echinococcus granulosus	expressed conserved protein	0.0099	0.0729	0.1051
Schistosoma mansoni	cercarial elastase (S01 family)	0.0055	0.0202	0.0292
Schistosoma mansoni	patched 1	0.0045	0.0081	0.0117
Schistosoma mansoni	hypothetical protein	0.0044	0.0061	0.0088
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0616	0.694	1
Brugia malayi	MH2 domain containing protein	0.0128	0.1076	0.1551
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1027	0.1379
Schistosoma mansoni	hypothetical protein	0.0616	0.694	1
Onchocerca volvulus		0.0366	0.3932	0.8484
Schistosoma mansoni	hypothetical protein	0.0044	0.0061	0.0088
Echinococcus multilocularis	laminin	0.0069	0.0362	0.0362
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0069	0.0362	0.0522
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0616	0.694	1
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0806	0.1057
Schistosoma mansoni	cercarial elastase (S01 family)	0.0055	0.0202	0.0292
Mycobacterium ulcerans	hypothetical protein	0.0055	0.0202	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0055	0.0202	0.0292
Schistosoma mansoni	hypothetical protein	0.0055	0.0202	0.0292
Onchocerca volvulus	Arrow homolog	0.0069	0.0362	0.0364
Loa Loa (eye worm)	hypothetical protein	0.0421	0.4599	0.6587
Loa Loa (eye worm)	MH2 domain-containing protein	0.0128	0.1076	0.1451
Brugia malayi	Fibulin-1 precursor	0.0069	0.0362	0.0522
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0055	0.0202	0.0292
Echinococcus granulosus	Niemann Pick C1 protein	0.0151	0.1351	0.1947
Echinococcus multilocularis	Mastin	0.0055	0.0202	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0202	0.0177
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0055	0.0202	0.0292
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0055	0.0202	0.0292
Echinococcus multilocularis	Niemann Pick C1 protein	0.0151	0.1351	0.1351
Toxoplasma gondii	kringle domain-containing protein	0.0124	0.1027	1
Brugia malayi	hypothetical protein	0.0055	0.0202	0.0292
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0055	0.0202	0.0292

Activities

Activity type	Activity value	Assay description	Source	Reference
Contraction (functional)	= 59.2 %	Effect on Oxytocin-Induced contractions of rat uterus at concentrations 100 microM	ChEMBL.	10780901
Contraction (functional)	= 74.8 %	Effect on Oxytocin-Induced contractions of rat uterus at concentrations 50 microM	ChEMBL.	10780901
Contraction (functional)	= 93.8 %	Effect on Oxytocin-Induced contractions of rat uterus at concentrations 10 microM	ChEMBL.	10780901
ED50 (functional)	= 9.9 uM	Concentration giving 50% relaxation of the 30 mM KCL-induced contraction of rat aorta rings	ChEMBL.	10780901
ED50 (functional)	> 300 uM	Inhibition of electrically stimulated contractions of guinea pig ileum segments.	ChEMBL.	10780901
ND (functional)	0	Effect on Insulin secretion from rat pancreatic islets in the presence of 16.7 mM glucose at 10 uM; Not determined.	ChEMBL.	10780901
RIS (functional)	= 73.3 %	Insulin secretion from rat pancreatic islets (RIS) in the presence of 16.7 mM glucose at 50 uM	ChEMBL.	10780901

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: CHEMBL33085
PubChem: 9857561

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 46209