Details of the Drug

General Information of Drug (ID: DMB9CQL)

Drug Name

(S)-3-(azetidin-2-ylmethoxy)-2-fluoropyridine

Synonyms

UNII-XY1C8J4WGF; XY1C8J4WGF; CHEMBL308538; 186588-98-7; F-A-85380; CHEMBL449437; F-A 85380 Tartrate; (S)-3-(azetidin-2-ylmethoxy)-2-fluoropyridine; 2-Fluoro-A 85380; 2-Fluoro-A-85380; A-85380, 2-fluoro; 2-Fluoro-3-(((2S)-2-azetidinyl)methoxy)pyridine; Pyridine, 3-[(2S)-2-azetidinylmethoxy]-2-fluoro-; SCHEMBL1220341; ZINC6525315; FCH858175; BDBM50066788; BDBM50263094; AKOS006285963; ACM209530938; J1.007.103H; 2-fluoro-3-(2(s)-azetidinylmethoxy)pyridine; 3-((S)-1-Azetidin-2-ylmethoxy)-2-fluoro-pyridine; Pyridine, 3-((2S)-2-azetidin

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)

182.19

Logarithm of the Partition Coefficient (xlogp)

1

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C9H11FN2O
IUPAC Name: 3-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine
Canonical SMILES: C1CN[C@@H]1COC2=C(N=CC=C2)F
InChI: InChI=1S/C9H11FN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4,7,11H,3,5-6H2/t7-/m0/s1
InChIKey: GVOOYVOZPRROMP-ZETCQYMHSA-N

Cross-matching ID

PubChem CID: 10241442
CAS Number: 186588-98-7
TTD ID: D0L1IB

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)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Synthesis and biological evaluation of novel carbon-11 labeled pyridyl ethers: candidate ligands for in vivo imaging of alpha4beta2 nicotinic acety... Bioorg Med Chem. 2009 Jul 1;17(13):4367-77.