Detailed information for compound 507750

Basic information

Technical information
  • TDR Targets ID: 507750
  • Name: [1-(2H-tetrazol-5-ylmethyl)cycloheptyl]methan amine
  • MW: 209.291 | Formula: C10H19N5
  • H donors: 2 H acceptors: 3 LogP: 1.67 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCC1(CCCCCC1)Cc1nnn[nH]1
  • InChi: 1S/C10H19N5/c11-8-10(5-3-1-2-4-6-10)7-9-12-14-15-13-9/h1-8,11H2,(H,12,13,14,15)
  • InChiKey: ZEQVXBVQNCEPOJ-UHFFFAOYSA-N  

Network

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Synonyms

  • [1-(2H-1,2,3,4-tetrazol-5-ylmethyl)cycloheptyl]methanamine
  • [1-(2H-tetrazol-5-ylmethyl)cycloheptyl]methylamine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Voltage-gated calcium channel alpha2/delta subunit 1 Starlite/ChEMBL References
Sus scrofa Voltage-dependent calcium channel alpha2delta subunit Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus voltage dependent calcium channel subunit Get druggable targets OG5_133164 All targets in OG5_133164
Echinococcus multilocularis voltage dependent calcium channel subunit Get druggable targets OG5_133164 All targets in OG5_133164

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus voltage dependent calcium channel subunit Voltage-gated calcium channel alpha2/delta subunit 1   1091 aa 1030 aa 23.2 %
Echinococcus multilocularis voltage dependent calcium channel subunit Voltage-gated calcium channel alpha2/delta subunit 1   1091 aa 984 aa 23.7 %
Onchocerca volvulus Voltage-gated calcium channel alpha2/delta subunit 1   1091 aa 1104 aa 23.7 %
Brugia malayi Cache domain containing protein Voltage-gated calcium channel alpha2/delta subunit 1   1091 aa 1090 aa 23.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis voltage dependent calcium channel subunit 0.071 1 1
Treponema pallidum methyl-accepting chemotaxis protein (mcp2-1) 0.0657 0.9034 0.5
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.031 0.2632 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 100 % Protection against audiogenically induced tonic seizure in DBA/2 mouse at 30 mg/kg, po ChEMBL. 15946842
Activity (functional) = 100 % Protection against audiogenically induced tonic seizure in DBA/2 mouse at 30 mg/kg, po ChEMBL. 15946842
AUC (ADMET) = 5.2 ug.hr/ml AUC in rat ChEMBL. 15946842
CL (ADMET) = 10.6 ml/min.Kg Clearance in rat ChEMBL. 15946842
F (ADMET) = 85 % Oral bioavailability in rat ChEMBL. 15946842
IC50 (binding) = 100 nM Displacement of [3H]gabapentin from alpha2delta calcium channel in pig brain membrane ChEMBL. 15946842
IC50 (binding) = 100 nM Displacement of [3H]gabapentin from alpha2-delta calcium channel in pig brain ChEMBL. 17489571
IC50 (binding) = 100 nM Displacement of [3H]gabapentin from alpha2delta calcium channel in pig brain membrane ChEMBL. 15946842
IC50 (functional) = 5.7 uM Inhibition of potassium-evoked [3H]norepinephrine release from rat neocortex ChEMBL. 15946842
IC50 (functional) = 5.7 uM Inhibition of potassium-evoked [3H]norepinephrine release from rat neocortex ChEMBL. 15946842
T1/2 (ADMET) = 1 hr Plasma half life in rat ChEMBL. 15946842
Vdss (ADMET) = 0.38 L/Kg Volume of distribution in rat ChEMBL. 15946842

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

2 literature references were collected for this gene.

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