Details of the Drug

General Information of Drug (ID: DMZU74I)

Drug Name

3-((S)-Azetidin-2-yloxy)-5-iodo-pyridine

Synonyms

CHEMBL55138; 3-((S)-Azetidin-2-yloxy)-5-iodo-pyridine

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)

276.07

Logarithm of the Partition Coefficient (xlogp)

1.3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C8H9IN2O
IUPAC Name: 3-[(2S)-azetidin-2-yl]oxy-5-iodopyridine
Canonical SMILES: C1CN[C@H]1OC2=CC(=CN=C2)I
InChI: InChI=1S/C8H9IN2O/c9-6-3-7(5-10-4-6)12-8-1-2-11-8/h3-5,8,11H,1-2H2/t8-/m0/s1
InChIKey: KSOZTGQWGPTPSV-QMMMGPOBSA-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	Pharmacology of the agonist binding sites of rat neuronal nicotinic receptor subtypes expressed in HEK 293 cells. Bioorg Med Chem Lett. 2004 Apr 19;14(8):1845-8.