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Compound Detail

CHEMBL1201335

GLYCOPYRRONIUM
💊 Approved Drug
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💊 Approved Drug
C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1

Basic Information

ChEMBL ID CHEMBL1201335
Name GLYCOPYRRONIUM
Phase Approved
Structure Type MOL
InChI Key ANGKOCUUWGHLCE-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Glycopyrrolate cation Glycopyrrolate ion Glycopyrronium Glycopyrronium cation Glycopyrronium ion Glycopyrronium, erythro-
3
Targets
4
Activities
2
Assay Types
4
PK Parameters
16
Publications
6
Known Names
4
Indications

Molecular Properties

318.4
MW (Da)
2.46
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1961
Availability Prescription
Chirality Racemic

Routes of Administration

Oral Parenteral Topical

Flags

Natural Product
USAN Stem -ium; -onium
USAN Year 1963

Extended Properties

Molecular Formula C19H28NO3+
MW 318.44
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.36

Indications

Asthma Hyperhidrosis Pulmonary Disease, Chronic Obstructive Severe Acute Respiratory Syndrome

ATC Classification

D11AA01
glycopyrronium
Level 1: DERMATOLOGICALS
Level 2: OTHER DERMATOLOGICAL PREPARATIONS

Activity Summary

IC50 3 meas. best 9.9
Kd 1 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M3
CHEMBL245
IC50 9.9 9.75 0.1 2
Muscarinic acetylcholine receptor M2
CHEMBL211
IC50 9.8 9.8 0.2 1
Unchecked
CHEMBL612545
Kd 9.3 9.3 0.5 1

Pharmacokinetic Data

Parameter Value Units Species
CL 3.0 mL.min-1.g-1 Homo sapiens
CL 3.0 mL.min-1.g-1 Homo sapiens
CL 91.0 uL.min-1.(10^6cells)-1 Rattus norvegicus
CL 3.0 mL.min-1.g-1 Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301361 ADMET 5
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
22047691 10.1016/j.bmcl.2011.10.002 Unchecked 1
22047691 10.1016/j.bmcl.2011.10.002 Plasma 1
22047691 10.1016/j.bmcl.2011.10.002 Liver microsomes 1
22047691 10.1016/j.bmcl.2011.10.002 Muscarinic acetylcholine receptor M2 1
22047691 10.1016/j.bmcl.2011.10.002 Muscarinic acetylcholine receptor M3 1
24144851 10.1016/j.bmcl.2013.09.092 Molecular identity unknown 1
24144851 10.1016/j.bmcl.2013.09.092 Liver microsome 1
24144851 10.1016/j.bmcl.2013.09.092 Muscarinic acetylcholine receptor M3 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1

Data from ChEMBL 36 via Core Engine