Detailed information for compound 785964

Basic information

Technical information
  • TDR Targets ID: 785964
  • Name: 8-(5-bromo-2-methoxyphenyl)-3-(2-fluorophenyl )-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5 ]thiadiazine-9-carbonitrile
  • MW: 474.346 | Formula: C21H17BrFN3O2S
  • H donors: 0 H acceptors: 2 LogP: 4.28 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C2SCN(CN2C(=O)CC1c1cc(Br)ccc1OC)c1ccccc1F
  • InChi: 1S/C21H17BrFN3O2S/c1-28-19-7-6-13(22)8-15(19)14-9-20(27)26-11-25(12-29-21(26)16(14)10-24)18-5-3-2-4-17(18)23/h2-8,14H,9,11-12H2,1H3
  • InChiKey: USTLXQGBOZCEPT-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 8-(5-bromo-2-methoxy-phenyl)-3-(2-fluorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
  • 8-(5-bromo-2-methoxy-phenyl)-3-(2-fluorophenyl)-6-keto-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

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) jmjC domain-containing protein 0.0025 0.0048 0.0043
Onchocerca volvulus Alhambra homolog 0.003 0.0075 0.0149
Loa Loa (eye worm) hypothetical protein 0.0451 0.2495 0.2491
Trichomonas vaginalis glucosylceramidase, putative 0.027 0.1458 1
Plasmodium vivax basic transcription factor 3b, putative 0.0037 0.0115 0.0293
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.016 0.0113
Brugia malayi PHD-finger family protein 0.003 0.0075 0.0075
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.0924 0.6162
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0039 0.0034
Loa Loa (eye worm) runx1 0.0057 0.023 0.0225
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0257 0.0252
Trichomonas vaginalis glucosylceramidase, putative 0.0187 0.0979 0.6556
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0039 0.0039
Brugia malayi hypothetical protein 0.0451 0.2495 0.2495
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0174 0.0174
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0244 0.0198
Brugia malayi hypothetical protein 0.0026 0.0052 0.0052
Schistosoma mansoni dihydrofolate reductase 0.1757 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0244 0.0239
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0142 0.0095
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.016 0.016
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0244 0.0198
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.0924 0.6162
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0262 0.0216
Schistosoma mansoni hypothetical protein 0.003 0.0075 0.0028
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0039 0.0034
Loa Loa (eye worm) hypothetical protein 0.023 0.1226 0.1222
Schistosoma mansoni hypothetical protein 0.0033 0.0092 0.0045
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0244 0.0239
Trichomonas vaginalis glucosylceramidase, putative 0.027 0.1458 1
Brugia malayi Bromodomain containing protein 0.003 0.0075 0.0075
Loa Loa (eye worm) RNA binding protein 0.0062 0.0262 0.0258
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0075 0.0028
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0039 0.0034
Brugia malayi jmjC domain containing protein 0.0093 0.044 0.044
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0312 0.1766
Brugia malayi hypothetical protein 0.012 0.0596 0.0596
Entamoeba histolytica hypothetical protein 0.0072 0.0316 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0048 0.0043
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.0496 0.0492
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.016 0.0113
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0151 0.0604
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.016 0.0113
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0092 0.0045
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0244 0.0198
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0115 0.0349
Loa Loa (eye worm) hypothetical protein 0.0026 0.0052 0.0047
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0244 0.0198
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.016 0.0113
Echinococcus granulosus transcription factor btf3 0.0037 0.0115 0.0068
Echinococcus multilocularis Protein lozenge 0.0057 0.023 0.0183
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.016 0.0113
Trichomonas vaginalis glucosylceramidase, putative 0.027 0.1458 1
Loa Loa (eye worm) heterochromatin protein 1 0.0071 0.0312 0.0308
Loa Loa (eye worm) hypothetical protein 0.0103 0.0496 0.0492
Echinococcus granulosus chromobox protein 1 0.0071 0.0312 0.0266
Loa Loa (eye worm) hypothetical protein 0.012 0.0596 0.0592
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.016 0.0113
Loa Loa (eye worm) hypothetical protein 0.0023 0.0039 0.0034
Brugia malayi hypothetical protein 0.0072 0.0316 0.0316
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0039 0.0039
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0244 0.0529
Brugia malayi jmjC domain containing protein 0.0025 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0451 0.2495 0.2491
Echinococcus multilocularis dihydrofolate reductase 0.1757 1 1
Echinococcus granulosus survival motor neuron protein 1 0.023 0.1226 0.1184
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0672 0.3765 1
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.0924 0.6162
Entamoeba histolytica transcription factor BTF3, putative 0.0037 0.0115 0.2755
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0052 0.0013
Brugia malayi hypothetical protein 0.023 0.1226 0.1226
Onchocerca volvulus 0.0047 0.0174 0.0553
Schistosoma mansoni jumonji/arid domain-containing protein 0.0093 0.044 0.0394
Loa Loa (eye worm) dihydrofolate reductase 0.1757 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.016 0.0156
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0092 0.0045
Echinococcus multilocularis lysine specific demethylase 5A 0.0093 0.044 0.0394
Trypanosoma brucei transcription factor BTF3, putative 0.0037 0.0115 0.0182
Loa Loa (eye worm) hypothetical protein 0.0031 0.0084 0.0079
Schistosoma mansoni hypothetical protein 0.0033 0.0092 0.0045
Loa Loa (eye worm) hypothetical protein 0.0066 0.0285 0.028
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0262 0.0216
Schistosoma mansoni jumonji domain containing protein 0.0134 0.0677 0.0633
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0672 0.3765 1
Schistosoma mansoni hypothetical protein 0.0033 0.0092 0.0045
Onchocerca volvulus 0.0031 0.0084 0.0184
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0092 0.0045
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0075 0.0028
Brugia malayi N-terminal motif family protein 0.0177 0.0924 0.0924
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0075 0.0075
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0154 0.0792 0.0748
Brugia malayi jmjC domain containing protein 0.0025 0.0048 0.0048
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0154 0.0792 0.0748
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0052 0.0126
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.1757 1 1
Schistosoma mansoni chromobox protein 0.0071 0.0312 0.0266
Entamoeba histolytica hypothetical protein 0.0072 0.0316 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0039 0.0034
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0075 0.0028
Loa Loa (eye worm) hypothetical protein 0.004 0.0133 0.0128
Plasmodium falciparum phd finger protein, putative 0.003 0.0075 0.0187
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0672 0.3765 1
Toxoplasma gondii NAC domain-containing protein 0.0037 0.0115 0.0182
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.027 0.1458 0.1454
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0672 0.3765 1
Trypanosoma cruzi transcription factor btf3, putative 0.0037 0.0115 0.0182
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0262 0.0216
Entamoeba histolytica hypothetical protein 0.0072 0.0316 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0052 0.0126
Trichomonas vaginalis glucosylceramidase, putative 0.027 0.1458 1
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0052 0.0013
Echinococcus multilocularis geminin 0.0334 0.1825 0.1786
Trypanosoma cruzi transcription factor btf3, putative 0.0037 0.0115 0.0182
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0039 0.0034
Trichomonas vaginalis glucosylceramidase, putative 0.027 0.1458 1
Giardia lamblia PHD finger protein 15 0.003 0.0075 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0115 0.0349
Schistosoma mansoni transcription factor btf3 0.0037 0.0115 0.0068
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0075 0.0075
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0092 0.0092
Brugia malayi TAR-binding protein 0.0062 0.0262 0.0262
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0244 0.0239
Loa Loa (eye worm) hypothetical protein 0.007 0.0309 0.0304
Schistosoma mansoni chromobox protein 0.0071 0.0312 0.0266
Echinococcus granulosus GPCR family 2 0.0033 0.0092 0.0045
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.0496 0.0496
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0092 0.0092
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0244 0.0239
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.0316 0.027
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0039 0.0039
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0262 0.0258
Brugia malayi chromobox protein homolog 3 0.004 0.0133 0.0133
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0142 0.0095
Loa Loa (eye worm) jmjC domain-containing protein 0.0025 0.0048 0.0043
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0262 0.0216
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0092 0.0087
Schistosoma mansoni hypothetical protein 0.0047 0.0174 0.0127
Loa Loa (eye worm) hypothetical protein 0.012 0.0596 0.0592
Schistosoma mansoni hypothetical protein 0.0033 0.0092 0.0045
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0052 0.0013
Loa Loa (eye worm) hypothetical protein 0.0154 0.0788 0.0784
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0262 0.0216
Brugia malayi Heterochromatin protein 1 0.0071 0.0312 0.0312
Brugia malayi beta-NAC-like protein 0.0037 0.0115 0.0115
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.1226 0.1184
Loa Loa (eye worm) hypothetical protein 0.0023 0.0039 0.0034
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0262 0.0262
Schistosoma mansoni hypothetical protein 0.0072 0.0316 0.027
Loa Loa (eye worm) hypothetical protein 0.0177 0.0924 0.0919
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.016 0.0113
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0133 0.0479
Echinococcus multilocularis chromobox protein 1 0.0071 0.0312 0.0266
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0849 0.4782 0.4757
Plasmodium falciparum JmjC domain-containing protein, putative 0.0025 0.0048 0.0114
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.1757 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.0924 0.6162
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0039 0.0034
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.0924 0.6162
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.0496 0.0496
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0262 0.0216
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0039 0.0034
Loa Loa (eye worm) jmjC domain-containing protein 0.0093 0.044 0.0435
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.0924 0.6162
Echinococcus granulosus tar DNA binding protein 0.0062 0.0262 0.0216
Entamoeba histolytica hypothetical protein 0.0072 0.0316 1
Echinococcus granulosus chromobox protein 1 0.0071 0.0312 0.0266
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0133 0.0385
Plasmodium vivax hypothetical protein, conserved 0.003 0.0075 0.0187
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0075 0.0071
Brugia malayi hypothetical protein 0.0154 0.0788 0.0788
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0052 0.0013
Schistosoma mansoni survival motor neuron protein 0.0047 0.0174 0.0127
Plasmodium falciparum basic transcription factor 3b, putative 0.0037 0.0115 0.0293
Leishmania major basic transcription factor 3a, putative 0.0037 0.0115 0.0205
Trichomonas vaginalis glucosylceramidase, putative 0.027 0.1458 1
Schistosoma mansoni hypothetical protein 0.007 0.0309 0.0263
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.1757 1 1
Leishmania major hypothetical protein, conserved 0.0025 0.0048 0.0024
Loa Loa (eye worm) hypothetical protein 0.0025 0.0048 0.0043
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0244 0.0552
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.0924 0.6162
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0115 0.0349
Mycobacterium ulcerans hypothetical protein 0.0023 0.0039 0.0034
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0039 0.0034
Onchocerca volvulus 0.0154 0.0788 0.3053
Schistosoma mansoni hypothetical protein 0.0334 0.1825 0.1786
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.027 0.1458 0.1458
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0039 0.0034
Loa Loa (eye worm) hypothetical protein 0.0033 0.0092 0.0087
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.0316 0.027
Echinococcus granulosus dihydrofolate reductase 0.1757 1 1
Echinococcus multilocularis peregrin 0.003 0.0075 0.0028
Echinococcus granulosus lysine specific demethylase 5A 0.0093 0.044 0.0394
Plasmodium vivax JmjC domain containing protein 0.0025 0.0048 0.0114
Trichomonas vaginalis glucosylceramidase, putative 0.0187 0.0979 0.6556
Onchocerca volvulus Huntingtin homolog 0.012 0.0596 0.227
Entamoeba histolytica hypothetical protein 0.0037 0.0115 0.2755
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0672 0.3765 1
Leishmania major hypothetical protein, conserved 0.0026 0.0052 0.0036
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0151 0.0456
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0262 0.0258
Echinococcus granulosus geminin 0.0334 0.1825 0.1786
Schistosoma mansoni lozenge 0.0057 0.023 0.0183
Echinococcus multilocularis chromobox protein 1 0.0071 0.0312 0.0266
Echinococcus multilocularis GPCR, family 2 0.0033 0.0092 0.0045
Brugia malayi jmjC domain containing protein 0.0025 0.0048 0.0048
Onchocerca volvulus Glucosylceramidase homolog 0.0177 0.0924 0.3605
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0312 0.1766
Loa Loa (eye worm) ICD-1 protein 0.0037 0.0115 0.011
Loa Loa (eye worm) jmjC domain-containing protein 0.0025 0.0048 0.0043
Chlamydia trachomatis dihydrofolate reductase 0.1757 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0039 0.0034
Onchocerca volvulus Huntingtin homolog 0.012 0.0596 0.227
Schistosoma mansoni hypothetical protein 0.0334 0.1825 0.1786
Brugia malayi Dihydrofolate reductase 0.1757 1 1
Brugia malayi jmjC domain containing protein 0.0154 0.0792 0.0792
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.0316 0.027
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.0309 0.0309
Onchocerca volvulus 0.0451 0.2495 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0092 0.0045
Brugia malayi jmjC domain containing protein 0.0025 0.0048 0.0048
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0151 0.0604
Echinococcus granulosus peregrin 0.003 0.0075 0.0028
Brugia malayi RNA binding protein 0.0062 0.0262 0.0262
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0672 0.3765 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0075 0.0071
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0133 0.0479
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0052 0.0126
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0177 0.0924 0.3603
Schistosoma mansoni jumonji/arid domain-containing protein 0.0093 0.044 0.0394
Echinococcus multilocularis transcription factor btf3 0.0037 0.0115 0.0068

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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