Details of the Drug

General Information of Drug (ID: DM7RUNT)

Drug Name
2-Pyridin-3-yl-7-aza-bicyclo[2.2.1]heptane
Synonyms CHEMBL56817; deschloroepibatidine; SCHEMBL8047370; BDBM50100717; AKOS023808321; 2-(3-Pyridyl)-7-azabicyclo[2.2.1]heptane
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 174.24
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C11H14N2
IUPAC Name
2-pyridin-3-yl-7-azabicyclo[2.2.1]heptane
Canonical SMILES
C1CC2C(CC1N2)C3=CN=CC=C3
InChI
InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2
InChIKey
GYACOUGJSVTBRX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10154265
TTD ID
D0R6YB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Neuronal acetylcholine receptor alpha-2 (CHRNA2) TTF4E0J ACHA2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Epibatidine structure-activity relationships. Bioorg Med Chem Lett. 2004 Apr 19;14(8):1889-96.