PROPANTHELINE BROMIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1953)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: UX9Z118X9F

Structure
InChI Key XLBIBBZXLMYSFF-UHFFFAOYSA-M
Smile CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C.[Br-]
InChI
InChI=1S/C23H30NO3.BrH/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22;/h6-13,16-17,22H,14-15H2,1-5H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H30BrNO3
Molecular Weight 448.4
AlogP 4.73
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 35.53
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Muscarinic acetylcholine receptor M1 antagonist ISBN PubMed PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- - - - 96
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 110

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Bladder, Overactive 1 D053201 ClinicalTrials

Related Entries

MCS

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
30.0
Gastrointestinal disorders
20.0
Cardiac disorders
10.0
General disorders and administration site conditions
10.0
Investigations
10.0
Metabolism and nutrition disorders
10.0
Product issues
10.0

Cross References

Resources Reference
ChEBI 8482
ChEMBL CHEMBL1240
EPA CompTox DTXSID2023519
FDA SRS UX9Z118X9F
PubChem 9279
SureChEMBL SCHEMBL40291
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