Detailed information for compound 805223

Basic information

Technical information
  • TDR Targets ID: 805223
  • Name: methyl 8-chloro-4-piperidin-1-yl-2-(trifluoro methyl)-[1,3,5]triazino[4,5-b][1,3]benzothiaz ole-2-carboxylate
  • MW: 432.848 | Formula: C17H16ClF3N4O2S
  • H donors: 0 H acceptors: 1 LogP: 4.04 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1(N=C(N2CCCCC2)n2c(=N1)sc1c2ccc(c1)Cl)C(F)(F)F
  • InChi: 1S/C17H16ClF3N4O2S/c1-27-13(26)16(17(19,20)21)22-14(24-7-3-2-4-8-24)25-11-6-5-10(18)9-12(11)28-15(25)23-16/h5-6,9H,2-4,7-8H2,1H3
  • InChiKey: LZGGEGWUPXOOJP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • methyl 8-chloro-4-(1-piperidyl)-2-(trifluoromethyl)-[1,3,5]triazino[4,5-b][1,3]benzothiazole-2-carboxylate
  • 8-chloro-4-(1-piperidyl)-2-(trifluoromethyl)-[1,3,5]triazino[4,5-b][1,3]benzothiazole-2-carboxylic acid methyl ester
  • 8-chloro-4-piperidino-2-(trifluoromethyl)-[1,3,5]triazino[4,5-b][1,3]benzothiazole-2-carboxylic acid methyl ester
  • A3557/0150847

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
Echinococcus granulosus calcium activated potassium channel 0.0143 0.3677 0.3667
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0163 0.0219
Loa Loa (eye worm) hypothetical protein 0.0152 0.3947 0.5853
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.2351 0.3487
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0619 0.0918
Schistosoma mansoni hypothetical protein 0.0032 0.0163 0.0321
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0699 0.1015
Echinococcus multilocularis calcium activated potassium channel 0.0143 0.3677 0.3667
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0163 0.0147
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0619 0.0604
Echinococcus granulosus GPCR family 2 0.0032 0.0163 0.0147
Plasmodium falciparum potassium channel 0.0038 0.0353 0.5
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0163 0.0219
Loa Loa (eye worm) hypothetical protein 0.0069 0.1338 0.1985
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0038 0.0353 0.5
Schistosoma mansoni hypothetical protein 0.0172 0.4591 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.2351 0.3487
Echinococcus granulosus potassium large conductance calcium activated 0.0143 0.3677 0.3667
Plasmodium vivax potassium channel, putative 0.0038 0.0353 0.5
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog 0.0095 0.2157 0.3183
Schistosoma mansoni calcium-activated potassium channel 0.0143 0.3677 0.8002
Echinococcus multilocularis muscleblind protein 1 0.0152 0.3947 0.3937
Echinococcus multilocularis geminin 0.0172 0.4591 0.4583
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0619 0.1318
Echinococcus multilocularis GPCR, family 2 0.0032 0.0163 0.0147
Echinococcus multilocularis survival motor neuron protein 1 0.024 0.6743 0.6738
Entamoeba histolytica hypothetical protein 0.0036 0.0281 0.5
Echinococcus granulosus survival motor neuron protein 1 0.024 0.6743 0.6738
Echinococcus granulosus geminin 0.0172 0.4591 0.4583
Toxoplasma gondii ion channel protein 0.0038 0.0353 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0619 0.1318
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0163 0.0147
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0738 0.1578
Schistosoma mansoni calcium-activated potassium channel 0.0133 0.336 0.731
Loa Loa (eye worm) hypothetical protein 0.024 0.6743 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0016 0.0023
Loa Loa (eye worm) hypothetical protein 0.0095 0.2157 0.3199
Entamoeba histolytica hypothetical protein 0.0036 0.0281 0.5
Leishmania major hypothetical protein, conserved 0.0038 0.0353 0.5
Onchocerca volvulus 0.005 0.0738 1
Schistosoma mansoni hypothetical protein 0.0036 0.0281 0.058
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0016 0.0023
Loa Loa (eye worm) hypothetical protein 0.005 0.0738 0.1094
Brugia malayi hypothetical protein 0.024 0.6743 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0619 0.0896
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0163 0.0242
Leishmania major calcium/potassium channel (CAKC), putative 0.0038 0.0353 0.5
Schistosoma mansoni hypothetical protein 0.0032 0.0163 0.0321
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0619 0.1318
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0163 0.0147
Loa Loa (eye worm) MaxiK calcium-activated potassium channel 0.0095 0.2157 0.3199
Schistosoma mansoni hypothetical protein 0.0069 0.1338 0.2891
Schistosoma mansoni calcium-activated potassium channel 0.0038 0.0353 0.0738
Loa Loa (eye worm) hypothetical protein 0.0152 0.3947 0.5853
Loa Loa (eye worm) hypothetical protein 0.0032 0.0163 0.0242
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.2351 0.3472
Echinococcus granulosus muscleblind protein 0.0152 0.3947 0.3937
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.1338 0.1966
Schistosoma mansoni hypothetical protein 0.0032 0.0163 0.0321
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0281 0.0266
Schistosoma mansoni hypothetical protein 0.0049 0.0699 0.1492
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.0038 0.0353 0.5
Brugia malayi hypothetical protein 0.0036 0.0281 0.0394
Loa Loa (eye worm) hypothetical protein 0.0038 0.0353 0.0524
Brugia malayi Muscleblind-like protein 0.0152 0.3947 0.5843
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0281 0.058
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0163 0.0147
Schistosoma mansoni hypothetical protein 0.0172 0.4591 1
Echinococcus multilocularis calcium activated potassium channel variant 0.0133 0.336 0.335
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai 0.0133 0.336 0.4983
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.2351 0.3472
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0619 0.0604
Schistosoma mansoni hypothetical protein 0.0032 0.0163 0.0321
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0016 0.0023
Toxoplasma gondii ion channel protein 0.0038 0.0353 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.0281 0.5
Onchocerca volvulus 0.0049 0.0699 0.9455
Schistosoma mansoni survival motor neuron protein 0.0049 0.0699 0.1492
Echinococcus multilocularis tumor protein p63 0.0343 1 1
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0038 0.0353 0.5
Echinococcus multilocularis potassium large conductance calcium activated 0.0143 0.3677 0.3667
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0619 0.0604
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0619 0.0604
Echinococcus granulosus calcium activated potassium channel variant 0.0133 0.336 0.335
Echinococcus multilocularis muscleblind protein 0.0152 0.3947 0.3937
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0281 0.0266
Entamoeba histolytica hypothetical protein 0.0036 0.0281 0.5

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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