Details of the Drug

General Information of Drug (ID: DM68JI5)

Drug Name

Sazetidine-A

Synonyms

AMOP-H-OH; Nicotinic ligands (depression, pain, nicotine dependence); Nicotinic ligands (depression, pain, nicotine dependence), PsychoGenics

Indication

Disease Entry	ICD 11	Status	REF
Major depressive disorder	6A70.3	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

260.329

Logarithm of the Partition Coefficient (xlogp)

1.3

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H20N2O2
IUPAC Name: 6-[5-[[(2S)-azetidin-2-yl]methoxy]pyridin-3-yl]hex-5-yn-1-ol
Canonical SMILES: C1CN[C@@H]1COC2=CN=CC(=C2)C#CCCCCO
InChI: InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
InChIKey: WONBUILDJNKYCB-AWEZNQCLSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nicotinic acid receptor (HCAR2)	TTWNV8U	HCAR2_HUMAN	Binder	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Discovery of SCH 900271, a Potent Nicotinic Acid Receptor Agonist for the Treatment of Dyslipidemia. ACS Med Chem Lett. 2011 Nov 24;3(1):63-8.