Detailed information for compound 785967

Basic information

Technical information
  • TDR Targets ID: 785967
  • Name: 8-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-6- oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thi adiazine-9-carbonitrile
  • MW: 421.512 | Formula: C23H23N3O3S
  • H donors: 0 H acceptors: 2 LogP: 3.83 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1OC)OC)c1ccc(cc1)C
  • InChi: 1S/C23H23N3O3S/c1-15-4-6-16(7-5-15)25-13-26-22(27)11-19(20(12-24)23(26)30-14-25)18-9-8-17(28-2)10-21(18)29-3/h4-10,19H,11,13-14H2,1-3H3
  • InChiKey: LTKBFACPDKCOMK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-(2,4-dimethoxyphenyl)-6-keto-3-(4-methylphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
  • BAS 11177811

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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.025 0.0834 0.0828
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0068 0.0061
Onchocerca volvulus 0.0051 0.0078 0.041
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0068 0.0061
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0048 0.0239
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0068 0.0061
Loa Loa (eye worm) acetyltransferase 0.0147 0.0441 0.0435
Loa Loa (eye worm) hypothetical protein 0.0146 0.0439 0.0433
Echinococcus multilocularis chromobox protein 1 0.0077 0.0177 0.017
Loa Loa (eye worm) heterochromatin protein 1 0.0077 0.0177 0.017
Entamoeba histolytica hypothetical protein 0.0078 0.018 1
Onchocerca volvulus 0.049 0.1746 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0214 0.0696 0.069
Echinococcus multilocularis dihydrofolate reductase 0.2664 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0214 0.0696 0.069
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.1018 0.3752 1
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.0617 0.6162
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0068 0.0061
Entamoeba histolytica hypothetical protein 0.004 0.0035 0.0058
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0128 0.0324
Echinococcus multilocularis transcription factor btf3 0.004 0.0035 0.0029
Echinococcus granulosus lysine specific demethylase 5A 0.0101 0.0268 0.0262
Loa Loa (eye worm) jmjC domain-containing protein 0.0101 0.0268 0.0262
Echinococcus granulosus dihydrofolate reductase 0.2664 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0068 0.0061
Loa Loa (eye worm) latrophilin receptor protein 2 0.0068 0.0141 0.0134
Schistosoma mansoni hypothetical protein 0.0068 0.0141 0.0134
Brugia malayi hypothetical protein 0.0167 0.0519 0.0513
Brugia malayi Bromodomain containing protein 0.0036 0.002 0.0014
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0923 0.339 0.3386
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.0617 0.6162
Brugia malayi Heterochromatin protein 1 0.0077 0.0177 0.017
Entamoeba histolytica hypothetical protein 0.0078 0.018 1
Brugia malayi Dihydrofolate reductase 0.2664 1 1
Brugia malayi chromobox protein homolog 3 0.0043 0.0048 0.0042
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0168 0.0522 0.0516
Loa Loa (eye worm) hypothetical protein 0.0167 0.0519 0.0513
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.0034 0.0074
Leishmania major dihydrofolate reductase-thymidylate synthase 0.1018 0.3752 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0068 0.0141 0.0134
Entamoeba histolytica transcription factor BTF3, putative 0.004 0.0035 0.0058
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0078 0.018 0.0173
Trichomonas vaginalis glucosylceramidase, putative 0.0294 0.1001 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.1018 0.3752 1
Trichomonas vaginalis glucosylceramidase, putative 0.0294 0.1001 1
Schistosoma mansoni transcription factor btf3 0.004 0.0035 0.0029
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0294 0.1001 0.0995
Brugia malayi hypothetical protein 0.025 0.0834 0.0828
Toxoplasma gondii NAC domain-containing protein 0.004 0.0035 0.0076
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0035 0.0349
Echinococcus granulosus GPCR family 2 0.0068 0.0141 0.0134
Brugia malayi Latrophilin receptor protein 2 0.0068 0.0141 0.0134
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0128 0.0121
Loa Loa (eye worm) hypothetical protein 0.049 0.1746 0.1741
Schistosoma mansoni hypothetical protein 0.0051 0.0078 0.0071
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0128 0.0121
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.0034 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.006 0.0311
Echinococcus multilocularis survival motor neuron protein 1 0.025 0.0834 0.0828
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.0617 0.6162
Brugia malayi hypothetical protein 0.049 0.1746 0.1741
Trichomonas vaginalis glucosylceramidase, putative 0.0203 0.0656 0.6556
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0068 0.0061
Brugia malayi Cytochrome P450 family protein 0.0053 0.0085 0.0079
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.2664 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0048 0.0111
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0128 0.025
Echinococcus multilocularis geminin 0.0183 0.0577 0.0571
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0128 0.0121
Trichomonas vaginalis chromobox protein, putative 0.0047 0.006 0.0604
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0078 0.0071
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0214 0.0696 0.069
Loa Loa (eye worm) runx1 0.0062 0.0117 0.0111
Schistosoma mansoni hypothetical protein 0.0068 0.0141 0.0134
Trichomonas vaginalis glucosylceramidase, putative 0.0294 0.1001 1
Brugia malayi jmjC domain containing protein 0.0101 0.0268 0.0262
Schistosoma mansoni chromobox protein 0.0077 0.0177 0.017
Brugia malayi latrophilin 2 splice variant baaae 0.0146 0.0439 0.0433
Schistosoma mansoni jumonji domain containing protein 0.0146 0.0439 0.0433
Entamoeba histolytica hypothetical protein 0.0078 0.018 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0048 0.0041
Trichomonas vaginalis chromobox protein, putative 0.0047 0.006 0.0604
Echinococcus granulosus jumonji domain containing protein 0.0045 0.0054 0.0048
Schistosoma mansoni lozenge 0.0062 0.0117 0.0111
Echinococcus granulosus transcription factor btf3 0.004 0.0035 0.0029
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0128 0.0121
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.0617 0.6162
Loa Loa (eye worm) cytochrome P450 family protein 0.0053 0.0085 0.0079
Loa Loa (eye worm) ICD-1 protein 0.004 0.0035 0.0029
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0168 0.0522 0.0516
Trichomonas vaginalis glucosylceramidase, putative 0.0294 0.1001 1
Trichomonas vaginalis glucosylceramidase, putative 0.0294 0.1001 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0012 0.0006
Entamoeba histolytica hypothetical protein 0.0078 0.018 1
Chlamydia trachomatis dihydrofolate reductase 0.2664 1 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0203 0.0656 0.6556
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0147 0.0441 0.0435
Schistosoma mansoni jumonji/arid domain-containing protein 0.0101 0.0268 0.0262
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.1018 0.3752 1
Echinococcus multilocularis jumonji domain containing protein 0.0045 0.0054 0.0048
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0035 0.0349
Trichomonas vaginalis glucosylceramidase, putative 0.0294 0.1001 1
Schistosoma mansoni survival motor neuron protein 0.0051 0.0078 0.0071
Trichomonas vaginalis chromobox protein, putative 0.0077 0.0177 0.1766
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.0137 0.0131
Schistosoma mansoni chromobox protein 0.0077 0.0177 0.017
Schistosoma mansoni hypothetical protein 0.0183 0.0577 0.0571
Plasmodium vivax basic transcription factor 3b, putative 0.004 0.0035 0.0076
Echinococcus multilocularis peregrin 0.0036 0.002 0.0014
Brugia malayi acetyltransferase, GNAT family protein 0.0147 0.0441 0.0435
Loa Loa (eye worm) dihydrofolate reductase 0.2664 1 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0294 0.1001 0.0995
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.2664 1 1
Onchocerca volvulus 0.0167 0.0519 0.2947
Loa Loa (eye worm) hypothetical protein 0.0072 0.0157 0.0151
Brugia malayi hypothetical protein 0.0078 0.018 0.0173
Onchocerca volvulus 0.0034 0.0012 0.0035
Loa Loa (eye worm) hypothetical protein 0.049 0.1746 0.1741
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.1018 0.3752 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0068 0.0141 0.0134
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0048 0.0111
Schistosoma mansoni hypothetical protein 0.0183 0.0577 0.0571
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0048 0.0477
Echinococcus multilocularis lysine specific demethylase 5A 0.0101 0.0268 0.0262
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0048 0.0479
Schistosoma mansoni hypothetical protein 0.0146 0.0439 0.0433
Echinococcus granulosus chromobox protein 1 0.0077 0.0177 0.017
Echinococcus granulosus peregrin 0.0036 0.002 0.0014
Echinococcus multilocularis Protein lozenge 0.0062 0.0117 0.0111
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0048 0.0111
Loa Loa (eye worm) hypothetical protein 0.0043 0.0048 0.0042
Schistosoma mansoni transcription factor LCR-F1 0.0078 0.018 0.0173
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0068 0.0141 0.0134
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0068 0.0061
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0068 0.0141 0.0134
Brugia malayi jmjC domain containing protein 0.0168 0.0522 0.0516
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0147 0.0441 0.0435
Brugia malayi beta-NAC-like protein 0.004 0.0035 0.0029
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0068 0.0141 0.0134
Echinococcus granulosus chromobox protein 1 0.0077 0.0177 0.017
Schistosoma mansoni hypothetical protein 0.0068 0.0141 0.0134
Loa Loa (eye worm) hypothetical protein 0.0214 0.0696 0.069
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0048 0.0479
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0068 0.0061
Onchocerca volvulus Glucosylceramidase homolog 0.0193 0.0617 0.3508
Schistosoma mansoni hypothetical protein 0.0078 0.018 0.0173
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.1018 0.3752 1
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.0617 0.6162
Schistosoma mansoni dihydrofolate reductase 0.2664 1 1
Trichomonas vaginalis chromobox protein, putative 0.0077 0.0177 0.1766
Loa Loa (eye worm) hypothetical protein 0.0068 0.0141 0.0134
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.0617 0.6162
Echinococcus granulosus histone acetyltransferase KAT2B 0.0143 0.0426 0.042
Schistosoma mansoni hypothetical protein 0.0068 0.0141 0.0134
Echinococcus multilocularis chromobox protein 1 0.0077 0.0177 0.017
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0078 0.018 0.0173
Schistosoma mansoni jumonji/arid domain-containing protein 0.0101 0.0268 0.0262
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.0617 0.6162
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0048 0.0477
Echinococcus granulosus geminin 0.0183 0.0577 0.0571
Echinococcus multilocularis GPCR, family 2 0.0068 0.0141 0.0134
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.2664 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0035 0.0349
Plasmodium falciparum basic transcription factor 3b, putative 0.004 0.0035 0.0076
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0068 0.0061
Echinococcus granulosus survival motor neuron protein 1 0.025 0.0834 0.0828

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

Bibliographic References

No literature references available for this target.

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