Detailed information for compound 253362

Basic information

Technical information
  • TDR Targets ID: 253362
  • Name: 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine i odide
  • MW: 281.137 | Formula: C7H10IN2S-
  • H donors: 1 H acceptors: 1 LogP: 2.55 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc2c(s1)CCCC2.[I-]
  • InChi: 1S/C7H10N2S.HI/c8-7-9-5-3-1-2-4-6(5)10-7;/h1-4H2,(H2,8,9);1H/p-1
  • InChiKey: SRIBOJGMWSVQMR-UHFFFAOYSA-M  

Network

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Synonyms

  • 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamine iodide

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 multilocularis Excitatory amino acid transporter 0.2 1 1
Plasmodium falciparum telomerase reverse transcriptase 0.0083 0.0252 1
Echinococcus granulosus excitatory amino acid transporter 2 0.2 1 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0886 0.4339 0.4339
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0148 0.5855
Trypanosoma brucei telomerase reverse transcriptase 0.0083 0.0252 0.5
Echinococcus multilocularis excitatory amino acid transporter 2 0.2 1 1
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.2 1 1
Echinococcus granulosus neutral amino acid transporter 0.2 1 1
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.2 1 1
Echinococcus granulosus excitatory amino acid transporter 3 0.2 1 1
Echinococcus granulosus sodium:dicarboxylate symporter 0.2 1 1
Echinococcus granulosus neutral amino acid transporter A 0.2 1 1
Brugia malayi Telomerase reverse transcriptase 0.022 0.0951 0.0951
Chlamydia trachomatis glutamate symporter 0.2 1 1
Treponema pallidum glutamate transporter 0.0886 0.4339 0.5
Loa Loa (eye worm) excitatory amino acid transporter 0.2 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0148 0.5
Echinococcus multilocularis neutral amino acid transporter A 0.2 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0148 0.5
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0083 0.0252 1
Giardia lamblia Telomerase catalytic subunit 0.0083 0.0252 0.5
Echinococcus multilocularis Excitatory amino acid transporter 0.2 1 1
Leishmania major telomerase reverse transcriptase, putative 0.0083 0.0252 1
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0148 0.5855
Echinococcus granulosus excitatory amino acid transporter 2 0.2 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0148 0.0148
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0148 0.0148
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0148 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0148 0.0148
Echinococcus granulosus neutral amino acid transporter A 0.2 1 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0083 0.0252 1
Plasmodium vivax telomerase reverse transcriptase, putative 0.0083 0.0252 1
Onchocerca volvulus Excitatory amino acid transporter homolog 0.2 1 1
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.2 1 0.5
Toxoplasma gondii RNA-directed DNA polymerase 0.0083 0.0252 1
Echinococcus multilocularis excitatory amino acid transporter 2 0.2 1 1
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.2 1 1
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0886 0.4339 0.4339
Echinococcus multilocularis neutral amino acid transporter A 0.2 1 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0886 0.4339 0.4339
Echinococcus multilocularis neutral amino acid transporter A 0.2 1 1
Treponema pallidum glutamate/aspartate transporter 0.0886 0.4339 0.5
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0303 0.1372 0.1372
Echinococcus multilocularis sodium:dicarboxylate symporter 0.2 1 1
Echinococcus granulosus Excitatory amino acid transporter 0.2 1 1
Echinococcus multilocularis excitatory amino acid transporter 3 0.2 1 1
Echinococcus granulosus Excitatory amino acid transporter 0.2 1 1
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0886 0.4339 0.4339
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0148 0.0148

Activities

Activity type Activity value Assay description Source Reference
EC25 (functional) = 855 nM Effective concentration to induce 25 % protection of rat PC12 cells from camptothecin-induced cell death ChEMBL. 12408720
EC50 (functional) = 8750 nM Effective concentration to induce 50 % protection of rat PC12 cells from camptothecin-induced cell death ChEMBL. 12408720
ND 0 Lipophilicity of the compound determined;ND means no data ChEMBL. 12408720

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

1 literature reference was collected for this gene.

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