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SMILES
SMARTS
Stem definition Drug id CAS RN
415
362-74-3
Description:
Molecule Description
Molfile
Inchi
Smiles
Synonyms:
bucladesine
Dibutyryl cAMP
dbcAMP
Cyclic AMP dibutyrate
bucladesine sodium
bucladesine sodium salt
A cyclic nucleotide derivative that mimics the action of endogenous CYCLIC AMP and is capable of permeating the cell membrane. It has vasodilator properties and is used as a cardiac stimulant. (From Merck Index, 11th ed)
Molecular weight: 469.39
Formula: C18H24N5O8P
CLOGP: 0.74
LIPINSKI: 1
HAC: 13
HDO: 2
TPSA: 163.99
ALOGS: -2.46
ROTB: 8
Drug dosage:
None
ADMET properties:
None
Predicted pharmacokinetic/toxicological properties (PK-AZ):
Property Description Value Unit Confidence Similarity
pfas-class
PFAS structural alert (1 = True, 0 = False)
0
Approvals:
None
FDA Adverse Event Reporting System (Female)
None
FDA Adverse Event Reporting System (Male)
None
FDA Adverse Event Reporting System (Geriatric)
None
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
Source Code Description
ATC
C01CE04
CARDIOVASCULAR SYSTEM CARDIAC THERAPY CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES Phosphodiesterase inhibitors
CHEBI has role
CHEBI:35620
vasodilator agent
CHEBI has role
CHEBI:38147
cardiotonic drug
CHEBI has role
CHEBI:48705
agonist
Related Drugs by ATC class:
C01CE Phosphodiesterase inhibitors 3 drugs
None
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
Dissociation level Dissociation constant Type (acidic/basic)
pKa1
1.21
acidic
pKa2
12.91
acidic
pKa3
2.16
Basic
Orange Book patent data (new drug applications)
None
Orange Book exclusivity data (new drug applications)
None
Bioactivity Summary:
None
External reference:
Pharmaceutical products:
None