Details of the Drug

General Information of Drug (ID: DMOLNCZ)

Drug Name
ACECLIDINE
Synonyms (-)-aceclidine; R-(-)-aceclidine; GTPL288; ZB016005; [(8R)-1-azoniabicyclo[2.2.2]octan-8-yl] acetate
Indication
Disease Entry ICD 11 Status REF
Glaucoma/ocular hypertension 9C61 Approved [1]
ATC Code
S01EB08: ACECLIDINE
S01EB: Parasympathomimetics
S01E: ANTIGLAUCOMA PREPARATIONS AND MIOTICS
S01: OPHTHALMOLOGICALS
S: SENSORY ORGANS
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 169.22
Logarithm of the Partition Coefficient (xlogp) 0.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C9H15NO2
IUPAC Name
1-azabicyclo[2.2.2]octan-3-yl acetate
Canonical SMILES
CC(=O)OC1CN2CCC1CC2
InChI
InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3
InChIKey
WRJPSSPFHGNBMG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1979
ChEBI ID
CHEBI:93847
CAS Number
827-61-2
UNII
0578K3ELIO
DrugBank ID
DB13262
TTD ID
D0R7WU

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 Inhibitor [2]
Muscarinic acetylcholine receptor M2 (CHRM2) TTYEG6Q ACM2_HUMAN Inhibitor [2]
Muscarinic acetylcholine receptor M3 (CHRM3) TTQ13Z5 ACM3_HUMAN Inhibitor [2]
Muscarinic acetylcholine receptor M4 (CHRM4) TTQ3JTF ACM4_HUMAN Inhibitor [2]
Muscarinic acetylcholine receptor M5 (CHRM5) TTH18TF ACM5_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Glaucoma/ocular hypertension
ICD Disease Classification 9C61
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Muscarinic acetylcholine receptor M1 (CHRM1) DTT CHRM1 5.59E-01 0.19 0.41
Muscarinic acetylcholine receptor M2 (CHRM2) DTT CHRM2 5.59E-01 0.19 0.41
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 288).
2 Design, synthesis, and neurochemical evaluation of 5-(3-alkyl-1,2,4- oxadiazol-5-yl)-1,4,5,6-tetrahydropyrimidines as M1 muscarinic receptor agonists. J Med Chem. 1993 Apr 2;36(7):842-7.