GLYCOPYRRONIUM

Search structure
Synonyms:
Status: Approved (1961)
Entry Type: Small molecule
Molecule Category: Parent
ATC: D11AA01
UNII: A14FB57V1D

Structure
InChI Key ANGKOCUUWGHLCE-UHFFFAOYSA-N
Smile C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1
InChI
InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H28NO3+
Molecular Weight 318.44
AlogP 2.46
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 46.53
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 0-0 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 3 D029424 ClinicalTrials
Hyperhidrosis 3 D006945 ClinicalTrials
Asthma 2 D001249 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt
UNKNOWN

Cross References

Resources Reference
CAS NUMBER 740028-90-4
ChEBI 94449
ChEMBL CHEMBL1201335
DrugBank DB00986
DrugCentral 4302
EPA CompTox DTXSID2048165
FDA SRS A14FB57V1D
Human Metabolome Database HMDB0015121
Guide to Pharmacology 7459
PharmGKB PA164754882
PubChem 9933193
SureChEMBL SCHEMBL133002
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