Details of the Drug

General Information of Drug (ID: DMNDUJ5)

Drug Name

Muscarine

Synonyms

MUSCARINE; Muscarin; L-(+)-Muscarine; Muskarin; (+)-Muscarine; Muscarine (alkaloid); Muscarine (the alkaloid); UNII-7T101UWZ5W; (+)-(2S,4R,5S)-Muscarine; 300-54-9; EINECS 206-094-1; CHEMBL12587; CHEBI:7034; MUSCARINE CHLORIDE; 7T101UWZ5W; 2-Furanmethanaminium, tetrahydro-4-hydroxy-N,N,N,5-tetramethyl-, (2S-(2alpha,4beta,5alpha))-; Ammonium, trimethyl(tetrahydro-4-hydroxy-5-methylfurfuryl)-; D-ribo-Hexitol, 2,5-anhydro-1,4,6-trideoxy-6-(trimethyl)ammonio)-; CHEMBL292911; CHEMBL1255785

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)

174.26

Logarithm of the Partition Coefficient (xlogp)

0.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C9H20NO2+
IUPAC Name: [(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium
Canonical SMILES: C[C@H]1[C@@H](C[C@H](O1)C[N+](C)(C)C)O
InChI: InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
InChIKey: UQOFGTXDASPNLL-XHNCKOQMSA-N

Cross-matching ID

PubChem CID: 9308
ChEBI ID: CHEBI:7034
CAS Number: 300-54-9
TTD ID: D0H4BJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor M5 (CHRM5)	TTH18TF	ACM5_HUMAN	Agonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction 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: 3996).
2	The effects of the antagonists of muscarinic acetylcholine receptor subtypes in rat brain on urinary bladder contraction. Nippon Hinyokika Gakkai Zasshi. 2002 Mar;93(3):427-34.