Detailed information for compound 1671927

Basic information

Technical information
  • TDR Targets ID: 1671927
  • Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-ox o-3-phenylisochroman-6-carboxamide
  • MW: 428.503 | Formula: C25H20N2O3S
  • H donors: 0 H acceptors: 3 LogP: 4.78 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C(=O)c1ccc2c(c1)CC(OC2=O)c1ccccc1)Cc1nc2c(s1)cccc2
  • InChi: 1S/C25H20N2O3S/c1-27(15-23-26-20-9-5-6-10-22(20)31-23)24(28)17-11-12-19-18(13-17)14-21(30-25(19)29)16-7-3-2-4-8-16/h2-13,21H,14-15H2,1H3
  • InChiKey: GYYGZGZSYADILM-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-oxo-3-phenyl-isochroman-6-carboxamide
  • N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-oxo-3-phenyl-6-isochromancarboxamide
  • N-(1,3-benzothiazol-2-ylmethyl)-1-keto-N-methyl-3-phenyl-isochroman-6-carboxamide
  • T5685636

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 0.0042 0.0153 0.0224
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0357 0.6799 1
Loa Loa (eye worm) hypothetical protein 0.0183 0.3117 0.4584
Schistosoma mansoni sodium/chloride dependent transporter 0.0042 0.0153 0.026
Schistosoma mansoni sodium-dependent amino acid transporter 0.0042 0.0153 0.026
Brugia malayi vesicular acetylcholine transporter unc-17 0.0214 0.3769 0.5544
Schistosoma mansoni sphingoid long chain base kinase 0.0313 0.5861 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0153 0.0224
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0339 0.0499
Entamoeba histolytica hypothetical protein, conserved 0.0313 0.5861 0.5
Echinococcus granulosus vesicular acetylcholine transporter 0.0214 0.3769 0.3673
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0042 0.0153 0.026
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0509 1 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0042 0.0153 0.026
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0042 0.0153 0.026
Treponema pallidum sodium- and chloride- dependent transporter 0.0247 0.4483 0.5
Leishmania major C-8 sterol isomerase-like protein 0.0357 0.6799 0.5
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0042 0.0153 0.0224
Echinococcus multilocularis serotonin transporter 0.0247 0.4483 0.4398
Loa Loa (eye worm) hypothetical protein 0.0313 0.5861 0.862
Brugia malayi Pax transcription factor protein 2 0.0284 0.5263 0.7741
Schistosoma mansoni hypothetical protein 0.0173 0.2911 0.4967
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0339 0.0499
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0042 0.0153 0.0224
Brugia malayi MH2 domain containing protein 0.0141 0.2242 0.3297
Loa Loa (eye worm) norepinephrine transporter 0.0247 0.4483 0.6594
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0214 0.3769 0.7077
Echinococcus granulosus serotonin transporter 0.0247 0.4483 0.4398
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0042 0.0153 0.026
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0042 0.0153 0.0224
Loa Loa (eye worm) hypothetical protein 0.0042 0.0153 0.0224
Brugia malayi hypothetical protein 0.0042 0.0153 0.0224
Loa Loa (eye worm) serotonin transporter b 0.0247 0.4483 0.6594
Loa Loa (eye worm) hypothetical protein 0.0357 0.6799 1
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0357 0.6799 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0042 0.0153 0.026
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0339 0.0499
Loa Loa (eye worm) MH2 domain-containing protein 0.0141 0.2242 0.3297
Onchocerca volvulus 0.0284 0.5263 1
Mycobacterium tuberculosis Conserved protein 0.0313 0.5861 0.5
Echinococcus multilocularis vesicular acetylcholine transporter 0.0214 0.3769 0.3673
Loa Loa (eye worm) hypothetical protein 0.0042 0.0153 0.0224
Toxoplasma gondii hypothetical protein 0.0042 0.0153 0.5
Loa Loa (eye worm) hypothetical protein 0.0247 0.4483 0.6594
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0042 0.0153 0.0224
Plasmodium falciparum transporter, putative 0.0042 0.0153 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0247 0.4483 0.7649
Loa Loa (eye worm) pax transcription factor protein 2 0.0284 0.5263 0.7741
Loa Loa (eye worm) hypothetical protein 0.0247 0.4483 0.6594
Echinococcus granulosus sphingosine kinase 1 0.0313 0.5861 0.5797
Schistosoma mansoni sodium/chloride dependent transporter 0.0042 0.0153 0.026
Loa Loa (eye worm) transcription factor SMAD2 0.0141 0.2242 0.3297
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0042 0.0153 0.026
Echinococcus multilocularis geminin 0.0173 0.2911 0.2801
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0042 0.0153 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0042 0.0153 0.0224
Loa Loa (eye worm) hypothetical protein 0.0247 0.4483 0.6594
Echinococcus granulosus geminin 0.0173 0.2911 0.2801
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0247 0.4483 0.7649
Schistosoma mansoni hypothetical protein 0.0173 0.2911 0.4967
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0042 0.0153 0.0224
Loa Loa (eye worm) hypothetical protein 0.0051 0.0339 0.0499
Schistosoma mansoni vesicular acetylcholine transporter 0.0214 0.3769 0.6431
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0042 0.0153 0.026
Toxoplasma gondii hypothetical protein 0.0042 0.0153 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0153 0.0224
Plasmodium vivax amine transporter, putative 0.0042 0.0153 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0042 0.0153 0.5
Schistosoma mansoni sphingosine kinase A B 0.0313 0.5861 1
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0153 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0153 0.0224
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0214 0.3769 0.5544
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0042 0.0153 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0153 0.0224
Trypanosoma brucei C-8 sterol isomerase, putative 0.0357 0.6799 0.5
Onchocerca volvulus 0.0247 0.4483 0.8474
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0042 0.0153 0.5
Mycobacterium ulcerans hypothetical protein 0.0313 0.5861 0.5
Plasmodium falciparum amino acid transporter, putative 0.0042 0.0153 0.5
Echinococcus multilocularis sphingosine kinase 1 0.0313 0.5861 0.5797
Loa Loa (eye worm) solute carrier family 6 member 4 0.0247 0.4483 0.6594
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0042 0.0153 0.026
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0247 0.4483 0.6594

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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