Ligand Id: 298
Ligand name carbachol

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 52.32
Molecular weight 147.11
XLogP -0.98
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
Approved drug? Yes (source: DrugBank)
DrugBank groups approved
IUPAC Name
2-carbamoyloxyethyl-trimethylazanium
International Nonproprietary Names
INN number INN
383 carbachol
Synonyms
2-carbamoyloxyethyl-trimethyl-azanium
carbacholin
carbacholine
carbacolina
carbamiotin
carbochol
carbocholin
carbocholine
carcholin
Database Links
BindingDB Ligand 50014555
CAS Registry No. 51-83-2 (source: DrugBank)
ChEBI CHEBI:194790
ChEMBL Ligand 194790, 100892
DrugBank Ligand DB00411
PharmGKB Drug PA448784
PubChem CID 2551
RCSB PDB Ligand CCE
Search on ChemSpider VPJXQGSRWJZDOB-UHFFFAOYSA-O
Wikipedia Carbachol
ZINC ZINC03079342
iPHACE 2FDNZVZS

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org