Details of the Drug

General Information of Drug (ID: DMHOLB7)

• Drug Name: A-85380
• Synonyms: A-85380; A 85380; 161416-98-4; CHEMBL59986; (S)-3-(AZETIDIN-2-YLMETHOXY)PYRIDINE; AC1NSJQT; Pyridine, 3-[(2S)-2-azetidinylmethoxy]-; SCHEMBL676026; A-159470; GTPL5460; ZINC3805142; 3-(2(s)-azetidinylmethoxy)pyridine; BDBM50049750; AKOS030230435; NCGC00387223-01; 3-[(2S)-azetidin-2-ylmethoxy]pyridine; 3-[[(2S)-azetidin-2-yl]methoxy]pyridine; 3-((S)-1-Azetidin-2-ylmethoxy)-pyridine; Pyridine, 3-(2-azetidinylmethoxy)-, (S)-
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 164.2
  Logarithm of the Partition Coefficient (xlogp); 0.6
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C9H12N2O
  IUPAC Name: 3-[[(2S)-azetidin-2-yl]methoxy]pyridine
  Canonical SMILES: C1CN[C@@H]1COC2=CN=CC=C2
  InChI: InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
  InChIKey: XKFMBGWHHBCWCD-QMMMGPOBSA-N
• Cross-matching ID:
  PubChem CID: 5310969
  CAS Number: 161416-98-4
  TTD ID: D0Y6OE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nicotinic acetylcholine receptor (nAChR)	TTJSZTB	NOUNIPROTAC	Agonist	[1]

References

• [1] The therapeutic potential of nicotinic acetylcholine receptor agonists for pain control. Expert Opin Investig Drugs. 2001 Oct;10(10):1819-30.