General Information of Drug (ID: DM2XTB9)

Drug Name
WAY-132983
Synonyms WAY-132983
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0
Molecular Weight 343.9
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Chemical Identifiers
Formula
C16H26ClN3OS
IUPAC Name
(3R)-3-(3-hexylsulfanylpyrazin-2-yl)oxy-1-azabicyclo[2.2.1]heptane;hydrochloride
Canonical SMILES
CCCCCCSC1=NC=CN=C1O[C@H]2CN3CCC2C3.Cl
InChI
InChI=1S/C16H25N3OS.ClH/c1-2-3-4-5-10-21-16-15(17-7-8-18-16)20-14-12-19-9-6-13(14)11-19;/h7-8,13-14H,2-6,9-12H2,1H3;1H/t13?,14-;/m0./s1
InChIKey
QAXRREHLPKHWBI-IJDFPQMLSA-N
Cross-matching ID
PubChem CID
45260374
TTD ID
D0PZ9R

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Muscarinic acetylcholine receptor M1 (CHRM1) TTZ9SOR ACM1_HUMAN Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Muscarinic acetylcholine receptor M1 (CHRM1) DTT CHRM1 8.42E-02 -0.38 -0.24
Muscarinic acetylcholine receptor M1 (CHRM1) DTT CHRM1 2.55E-01 0.14 0.37
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Pharmacological comparison of muscarinic ligands: historical versus more recent muscarinic M1-preferring receptor agonists. Eur J Pharmacol. 2009 Mar 1;605(1-3):53-6.