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]
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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

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]

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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.