Detailed information for compound 166133

Basic information

Technical information
  • TDR Targets ID: 166133
  • Name: 7-amino-6-chloro-3-(8-methyl-8-azabicyclo[3.2 .1]octan-3-yl)-1,2,3-benzotriazin-4-one
  • MW: 319.789 | Formula: C15H18ClN5O
  • H donors: 1 H acceptors: 1 LogP: 2.73 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1C2CCC1CC(C2)n1nnc2c(c1=O)cc(c(c2)N)Cl
  • InChi: 1S/C15H18ClN5O/c1-20-8-2-3-9(20)5-10(4-8)21-15(22)11-6-12(16)13(17)7-14(11)18-19-21/h6-10H,2-5,17H2,1H3
  • InChiKey: LBPYTDJACAWXKH-UHFFFAOYSA-N  

Network

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Synonyms

  • 7-azanyl-6-chloro-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,3-benzotriazin-4-one

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
Trypanosoma brucei glucose transporter, putative 0.0016 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0036 0.3602 1
Trypanosoma cruzi hexose transporter, putative 0.0016 0 0.5
Leishmania major glucose transporter, lmgt1 0.0016 0 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0036 0.3602 1
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0016 0 0.5
Brugia malayi conserved hypotetical protein 0.0017 0.0208 0.0579
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0036 0.3602 0.3602
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.3602 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0017 0.0208 0.0208
Trypanosoma brucei THT1 - hexose transporter, putative 0.0016 0 0.5
Trypanosoma cruzi hexose transporter, putative 0.0016 0 0.5
Trypanosoma cruzi sugar transporter, putative 0.0016 0 0.5
Trypanosoma cruzi hexose transporter, putative 0.0016 0 0.5
Brugia malayi steroid hormone receptor 0.0036 0.3602 1
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Schistosoma mansoni coup transcription factor 0.0036 0.3602 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0036 0.3602 0.3602
Brugia malayi Nuclear hormone receptor E75 0.0017 0.0208 0.0579
Trypanosoma brucei THT1 - hexose transporter, putative 0.0016 0 0.5
Brugia malayi nuclear hormone receptor 0.0017 0.0208 0.0579
Brugia malayi ecdysone receptor 0.0017 0.0208 0.0579
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0036 0.3602 0.3602
Brugia malayi Nuclear hormone receptor E75 0.0017 0.0208 0.0579
Loa Loa (eye worm) hypothetical protein 0.0019 0.0572 0.1588
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.3602 1
Brugia malayi hypothetical protein 0.0019 0.0572 0.1588
Loa Loa (eye worm) hypothetical protein 0.0019 0.0572 0.1588
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0036 0.3602 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.3602 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.3602 0.3602
Giardia lamblia Sugar-proton symporter 0.0016 0 0.5
Leishmania major glucose transporter/membrane transporter D2, putative 0.0016 0 0.5
Brugia malayi hypothetical protein 0.0017 0.0208 0.0579
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0036 0.3602 1
Loa Loa (eye worm) steroid hormone receptor 0.0036 0.3602 1
Brugia malayi Nuclear hormone receptor-like 1 0.0036 0.3602 1
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Trypanosoma brucei glucose transporter 2A 0.0016 0 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0036 0.3602 0.3602
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Plasmodium falciparum hexose transporter 0.0016 0 0.5
Trypanosoma brucei THT1 - hexose transporter, putative 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Leishmania major hypothetical protein, conserved 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0017 0.0208 0.0208
Loa Loa (eye worm) nuclear receptor NHR-67 0.0017 0.0208 0.0579
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Echinococcus granulosus nuclear receptor nhr 48 0.0017 0.0208 0.0208
Trypanosoma brucei glucose transporter, putative 0.0016 0 0.5
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0019 0.0572 0.1588
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.3602 1
Brugia malayi nuclear receptor RXR 0.0019 0.0572 0.1588
Echinococcus multilocularis ecdysone induced protein 78C 0.0036 0.3602 0.3602
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0036 0.3602 0.3602
Toxoplasma gondii facilitative glucose transporter GT1 0.0016 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0036 0.3602 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0019 0.0572 0.0572
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Leishmania major myo-inositol/proton symporter (MIT) 0.0016 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0036 0.3602 1
Echinococcus granulosus FTZ F1 alpha 0.0036 0.3602 0.3602
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0036 0.3602 1
Leishmania major glucose transporter, lmgt2 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0036 0.3602 0.3602
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.3602 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0036 0.3602 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0071 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0017 0.0208 0.0208
Brugia malayi nuclear receptor NHR-88 0.0017 0.0208 0.0579
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Trypanosoma brucei glucose transporter, putative 0.0016 0 0.5
Schistosoma mansoni nuclear receptor nhr-48 0.0017 0.0208 0.0579
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Brugia malayi nuclear receptor NHR-88 0.0036 0.3602 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0017 0.0208 0.0579
Schistosoma mansoni nuclear receptor 0.0017 0.0208 0.0579
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.3602 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Brugia malayi hypothetical protein 0.0017 0.0208 0.0579
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.0016 0 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0036 0.3602 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0036 0.3602 1
Leishmania major glucose transporter, lmgt3 0.0016 0 0.5
Brugia malayi nuclear receptor RXR 0.0017 0.0208 0.0579
Onchocerca volvulus Protein ultraspiracle homolog 0.0036 0.3602 1
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0036 0.3602 1
Echinococcus multilocularis FTZ F1 alpha 0.0036 0.3602 0.3602
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0017 0.0208 0.0579
Schistosoma mansoni nuclear receptor 0.0017 0.0208 0.0579
Brugia malayi nuclear receptor NHR-67 0.0017 0.0208 0.0579
Trichomonas vaginalis glucose transporter, putative 0.0016 0 0.5
Plasmodium vivax hexose transporter 0.0016 0 0.5
Echinococcus granulosus Nuclear hormone receptor HR96 0.0017 0.0208 0.0208
Mycobacterium ulcerans integral membrane transport protein 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Trypanosoma cruzi glucose transporter, putative 0.0016 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0036 0.3602 1
Loa Loa (eye worm) DR-78 0.0017 0.0208 0.0579
Trypanosoma cruzi hexose transporter, putative 0.0016 0 0.5
Trichomonas vaginalis sugar transport protein, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.3602 0.3602
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0017 0.0208 0.0208
Trypanosoma brucei glucose transporter, putative 0.0016 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.3602 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0036 0.3602 1
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0572 0.1588
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0036 0.3602 0.3602
Schistosoma mansoni retinoic acid receptor RXR 0.0036 0.3602 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.3602 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0017 0.0208 0.0579
Loa Loa (eye worm) hypothetical protein 0.0036 0.3602 1
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0572 0.1588
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0017 0.0208 0.0579
Brugia malayi Steroid receptor seven-up type 2 0.0036 0.3602 1
Loa Loa (eye worm) nuclear hormone receptor 0.0017 0.0208 0.0579
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0017 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.0036 0.3602 1
Trichomonas vaginalis myo-inositol transporter, putative 0.0016 0 0.5
Trichomonas vaginalis glucose transporter, putative 0.0016 0 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0036 0.3602 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Toxoplasma gondii sugar transporter ST1 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0036 0.3602 0.3602
Schistosoma mansoni thyroid hormone receptor 0.0036 0.3602 1
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0016 0 0.5
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0017 0.0208 0.0579
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0019 0.0572 0.1588
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.3602 1
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Giardia lamblia Hexose transporter 0.0016 0 0.5
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0017 0.0208 0.0208
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0036 0.3602 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0017 0.0208 0.0208
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0036 0.3602 1
Trypanosoma brucei glucose transporter 1E 0.0016 0 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0036 0.3602 0.3602
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0017 0.0208 0.0208
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Toxoplasma gondii sugar transporter ST3 0.0016 0 0.5
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0017 0.0208 0.0579
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.3602 0.3602
Trypanosoma brucei glucose transporter, putative 0.0016 0 0.5
Trypanosoma brucei glucose transporter, putative 0.0016 0 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0036 0.3602 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0036 0.3602 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0036 0.3602 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0036 0.3602 1
Brugia malayi ecdysteroid receptor 0.0036 0.3602 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.3602 0.3602
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Mycobacterium ulcerans sugar transporter 0.0016 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0036 0.3602 1
Plasmodium vivax sugar transporter, putative 0.0016 0 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0019 0.0572 0.1588
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Onchocerca volvulus 0.0017 0.0208 0.0579
Trypanosoma brucei glucose transporter, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.3602 1
Schistosoma mansoni nuclear hormone receptor 0.0017 0.0208 0.0579
Brugia malayi orphan nuclear receptor NR2E1 0.0017 0.0208 0.0579
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0036 0.3602 1
Brugia malayi hypothetical protein 0.0019 0.0572 0.1588
Onchocerca volvulus Bile acid receptor homolog 0.0036 0.3602 1
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0016 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0572 0.1588
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0016 0 0.5
Schistosoma mansoni zinc finger protein 0.0017 0.0208 0.0579
Trypanosoma brucei sugar transporter, putative 0.0016 0 0.5
Echinococcus multilocularis nuclear receptor nhr 48 0.0017 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.0019 0.0572 0.1588
Trypanosoma cruzi hexose transporter 0.0016 0 0.5
Brugia malayi nuclear hormone receptor family member odr-7 0.0017 0.0208 0.0579
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Trichomonas vaginalis glucose transporter, putative 0.0016 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0017 0.0208 0.0579
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Brugia malayi nuclear hormone receptor 0.0036 0.3602 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0036 0.3602 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Echinococcus granulosus ecdysone induced protein 78C 0.0036 0.3602 0.3602
Toxoplasma gondii sugar transporter ST2 0.0016 0 0.5
Toxoplasma gondii transporter, major facilitator family protein 0.0016 0 0.5
Brugia malayi tailless protein 0.0017 0.0208 0.0579
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0036 0.3602 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0036 0.3602 0.3602
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0036 0.3602 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0017 0.0208 0.0208
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0017 0.0208 0.0579
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0036 0.3602 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.3602 1
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0572 0.1588
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0019 0.0572 0.0572
Onchocerca volvulus 0.0017 0.0208 0.0579
Loa Loa (eye worm) hypothetical protein 0.0036 0.3602 1
Trypanosoma brucei glucose transporter, putative 0.0016 0 0.5
Onchocerca volvulus 0.0036 0.3602 1

Activities

Activity type Activity value Assay description Source Reference
ID50 (functional) = 0.17 ug kg-1 Antagonistic activity against 5-hydroxytryptamine 3 receptor as inhibition of 5-HT-induced bradycardia (von Bezold-jarisch reflex) in anesthetized rat ChEMBL. 2231593
ID50 (functional) = 0.17 ug kg-1 Antagonistic activity against 5-hydroxytryptamine 3 receptor as inhibition of 5-HT-induced bradycardia (von Bezold-jarisch reflex) in anesthetized rat ChEMBL. 2231593

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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