TDR Targets

Basic information

Technical information

TDR Targets ID: 786103
Name: 8-(4-ethoxyphenyl)-6-oxo-3-phenyl-2,4,7,8-tet rahydropyrido[2,1-b][1,3,5]thiadiazine-9-carb onitrile
MW: 391.486 | Formula: C22H21N3O2S
H donors: 0 H acceptors: 2 LogP: 3.86 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc(cc1)C1CC(=O)N2C(=C1C#N)SCN(C2)c1ccccc1
InChi: 1S/C22H21N3O2S/c1-2-27-18-10-8-16(9-11-18)19-12-21(26)25-14-24(17-6-4-3-5-7-17)15-28-22(25)20(19)13-23/h3-11,19H,2,12,14-15H2,1H3
InChiKey: KQDAIMKUBOCDHD-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

8-(4-ethoxyphenyl)-6-keto-3-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

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
Loa Loa (eye worm)	hypothetical protein	0.0056	0.043	0.0428
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0049	0.0294	0.0294
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0139	0.0139
Schistosoma mansoni	hypothetical protein	0.0528	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0072	0.0771	0.0771
Loa Loa (eye worm)	MBCTL1	0.0056	0.043	0.0428
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.0139	0.0087
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0039	0.0092	0.0081
Onchocerca volvulus		0.0049	0.0294	0.0369
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0062	0.056	0.056
Mycobacterium tuberculosis	Conserved protein	0.0041	0.0139	0.0104
Mycobacterium ulcerans	lipase LipD	0.0041	0.0139	0.0189
Mycobacterium ulcerans	esterase/lipase LipP	0.0041	0.0139	0.0189
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0056	0.043	0.0428
Loa Loa (eye worm)	TAR-binding protein	0.0072	0.0771	0.0777
Mycobacterium tuberculosis	Probable lipase LipD	0.0041	0.0139	0.0104
Onchocerca volvulus	Cell death protein 3 homolog	0.0062	0.056	0.1002
Mycobacterium tuberculosis	Probable lipase LipE	0.0041	0.0139	0.0104
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0163	0.2599	0.5532
Entamoeba histolytica	aldehyde dehydrogenase 1, putative	0.0103	0.1399	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0041	0.0139	0.013
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0306	0.0301
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0094	0.1216	0.1216
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0139	0.013
Mycobacterium tuberculosis	Probable hydrolase	0.0041	0.0139	0.0104
Schistosoma mansoni	jumonji domain containing protein	0.0075	0.0823	0.0823
Schistosoma mansoni	hypothetical protein	0.0304	0.5466	0.5466
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0139	0.013
Brugia malayi	hypothetical protein	0.0249	0.4341	0.4435
Echinococcus multilocularis	Fatty aldehyde dehydrogenase	0.0103	0.1399	0.1399
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0094	0.1216	0.1216
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0012	0.0012
Brugia malayi	Lipocalin / cytosolic fatty-acid binding protein family protein	0.0517	0.9774	1
Schistosoma mansoni	sex comb on midleg homolog	0.0049	0.0294	0.0294
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0118	0.0118
Echinococcus multilocularis	aldehyde dehydrogenase family 3 member B1	0.0103	0.1399	0.1399
Trypanosoma cruzi	aldehyde dehydrogenase family, putative	0.0103	0.1399	0.2393
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.051	0.051
Brugia malayi	MH2 domain containing protein	0.012	0.1742	0.1772
Onchocerca volvulus	Huntingtin homolog	0.0249	0.4341	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0041	0.0139	0.0189
Schistosoma mansoni	ap endonuclease	0.0039	0.0092	0.0092
Schistosoma mansoni	ap endonuclease	0.0039	0.0092	0.0092
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0146	0.2265	0.3976
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0012	0.0012
Schistosoma mansoni	sex comb on midleg homolog	0.0049	0.0294	0.0294
Toxoplasma gondii	hypothetical protein	0.005	0.0315	1
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0056	0.043	0.043
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0139	0.013
Mycobacterium tuberculosis	Conserved protein	0.0041	0.0139	0.0104
Trichomonas vaginalis	succinate semialdehyde dehydrogenase, putative	0.0103	0.1399	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0139	0.0362
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0309	0.5557	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.0139	0.0362
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0041	0.0139	0.0104
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0263	0.4624	1
Brugia malayi	mbt repeat family protein	0.0049	0.0294	0.0288
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.0139	0.0362
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0309	0.5557	1
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0056	0.043	0.043
Trichomonas vaginalis	esterase, putative	0.0041	0.0139	0.0362
Schistosoma mansoni	hypothetical protein	0.0528	1	1
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0186	0.0172
Echinococcus granulosus	aldehyde dehydrogenase family 3 member B1	0.0103	0.1399	0.1399
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0186	0.0172
Schistosoma mansoni	aldehyde dehydrogenase	0.0103	0.1399	0.1399
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0294	0.0288
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0056	0.043	0.043
Echinococcus granulosus	beta LACTamase domain containing family member	0.0041	0.0139	0.0139
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0139	1
Loa Loa (eye worm)	beta-lactamase	0.0041	0.0139	0.013
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0039	0.0092	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0771	0.0771
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0146	0.2265	0.3976
Loa Loa (eye worm)	hypothetical protein	0.0249	0.4341	0.4435
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0012	0.0012
Schistosoma mansoni	caspase-7 (C14 family)	0.0062	0.056	0.056
Brugia malayi	beta-lactamase family protein	0.0041	0.0139	0.013
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.1742	0.1772
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0139	0.013
Mycobacterium tuberculosis	Probable esterase LipL	0.0041	0.0139	0.0104
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0146	0.2265	0.3976
Brugia malayi	hypothetical protein	0.0062	0.056	0.0561
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0039	0.0092	0.5
Brugia malayi	RNA binding protein	0.0072	0.0771	0.0777
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0139	0.0087
Brugia malayi	mbt repeat family protein	0.0049	0.0294	0.0288
Trypanosoma brucei	aldehyde dehydrogenase family, putative	0.0103	0.1399	0.2393
Brugia malayi	RNA recognition motif domain containing protein	0.0072	0.0771	0.0777
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0041	0.0139	0.0139
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0039	0.0092	0.5
Mycobacterium ulcerans	beta-lactamase	0.0041	0.0139	0.0189
Onchocerca volvulus	Aldehyde dehydrogenase homolog	0.0103	0.1399	0.3
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0039	0.0092	0.0092
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0041	0.0139	0.0104
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0139	0.0139
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0771	0.0771
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0056	0.043	0.043
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase (NAD+) dependent	0.0103	0.1399	0.2885
Mycobacterium tuberculosis	Conserved protein	0.0041	0.0139	0.0104
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0139	0.0087
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0771	0.0771
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0041	0.0139	0.0104
Echinococcus granulosus	caspase 2	0.0062	0.056	0.056
Brugia malayi	beta-lactamase family protein	0.0041	0.0139	0.013
Toxoplasma gondii	ABC1 family protein	0.0041	0.0139	0.2121
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0139	0.0362
Onchocerca volvulus		0.0062	0.056	0.1002
Echinococcus multilocularis	polycomb protein SCMH1	0.0049	0.0294	0.0294
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0012	0.0012
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.02	0.3355	0.3355
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0053	0.0378	0.0523
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0049	0.0294	0.0294
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0771	0.0771
Echinococcus granulosus	SAM and MBT domain containing protein	0.0049	0.0294	0.0294
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.0092	0.5
Echinococcus granulosus	histone acetyltransferase MYST2	0.0056	0.043	0.043
Mycobacterium ulcerans	hypothetical protein	0.0041	0.0139	0.0189
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.02	0.3355	0.3355
Loa Loa (eye worm)	hypothetical protein	0.0249	0.4341	0.4435
Echinococcus multilocularis	ras gtp binding protein rho1	0.009	0.1123	0.1123
Echinococcus granulosus	polycomb protein SCMH1	0.0049	0.0294	0.0294
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0771	0.0771
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0118	0.0118
Brugia malayi	jmjC domain containing protein	0.0094	0.1216	0.1233
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0072	0.0771	0.0777
Echinococcus granulosus	Fatty aldehyde dehydrogenase	0.0103	0.1399	0.1399
Loa Loa (eye worm)	aldehyde dehydrogenase 4	0.0103	0.1399	0.1421
Echinococcus granulosus	ras gtp binding protein rho1	0.009	0.1123	0.1123
Brugia malayi	exodeoxyribonuclease III family protein	0.0039	0.0092	0.0081
Loa Loa (eye worm)	mbt repeat family protein	0.0049	0.0294	0.0288
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0039	0.0092	0.0092
Onchocerca volvulus	Huntingtin homolog	0.0249	0.4341	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0043	0.0186	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0139	0.013
Loa Loa (eye worm)	hypothetical protein	0.0062	0.056	0.0561
Echinococcus multilocularis	geminin	0.0528	1	1
Mycobacterium leprae	PROBABLE ALDEHYDE DEHYDROGENASE (NAD+) DEPENDENT	0.0103	0.1399	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0309	0.5557	1
Echinococcus granulosus	tar DNA binding protein	0.0072	0.0771	0.0771
Brugia malayi	TAR-binding protein	0.0072	0.0771	0.0777
Schistosoma mansoni	hypothetical protein	0.0062	0.056	0.056
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0049	0.0294	0.0369
Trypanosoma cruzi	aldehyde dehydrogenase family, putative	0.0103	0.1399	0.2393
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.1742	0.1772
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0139	0.013
Leishmania major	hypothetical protein, conserved	0.0041	0.0139	0.0087
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0043	0.0186	0.0172
Echinococcus multilocularis	caspase 2	0.0062	0.056	0.056
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0041	0.0139	0.013
Schistosoma mansoni	hypothetical protein	0.0049	0.0297	0.0297
Mycobacterium ulcerans	aldehyde dehydrogenase (NAD+) dependent	0.0103	0.1399	0.5216
Brugia malayi	Aldehyde dehydrogenase protein 4	0.0103	0.1399	0.1421
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0139	0.0362
Loa Loa (eye worm)	lipocalin/cytosolic fatty-acid binding protein family protein	0.0517	0.9774	1
Mycobacterium ulcerans	hypothetical protein	0.0163	0.2599	1
Leishmania major	mitochondrial DNA polymerase beta	0.0309	0.5557	1
Echinococcus granulosus	apoptotic protease activating factor 1	0.0062	0.056	0.056
Brugia malayi	Cell death protein 3 precursor	0.0062	0.056	0.0561
Brugia malayi	beta-lactamase	0.0041	0.0139	0.013
Loa Loa (eye worm)	RNA binding protein	0.0072	0.0771	0.0777
Loa Loa (eye worm)	hypothetical protein	0.0062	0.056	0.0561

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 786103