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]
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
PubChem CID
11983356
ChEBI ID
CHEMBL2024096
CAS Number
820231-95-6
TTD ID
D00WPU
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
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.