General
Preferred name
ESMOLOL
Synonyms
Esmolol HCl ()
ASL8052 ()
ESMOLOL HYDROCHLORIDE ()
Esmolol (hydrochloride) ()
Brevibloc ()
ASL-8052 ()
ASL-8052-001 ()
Esmolol-d7 (hydrochloride) ()
P&D ID
PD010181
CAS
81161-17-3
85614-76-2
103598-03-4
81147-92-4
1346598-13-7
Tags
drug
natural product
biased GPCR ligand
available
Approved by
FDA
First approval
1986
Drug Status
approved
withdrawn
Drug indication
Anti-Adrenergic (beta-receptor)
Acute supraventricular tachycardia
Max Phase
Phase 4
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
ROE
Consistent with the high rate of blood-based metabolism of esmolol hydrochloride, less than 2% of the drug is excreted unchanged in the urine. The acid metabolite has an elimination half-life of about 3.7 hours and is excreted in the urine with a clearance approximately equivalent to the glomerular filtration rate. ; Excretion of the acid metabolite is significantly decreased in patients with renal disease, with the elimination half-life increased to about ten-fold that of normals, and plasma levels considerably elevated.
METABOLISM
Esmolol undergoes rapid hydrolysis of ester linkage which is catalyzed by esterases found in the cytosol of red blood cells (RBCs). The plasma cholinersterases or RBC membrane acetylcholinesterases are not involved in this metabolic reaction. Metabolism of the drug occurs mainly in RBCs to form a free acid metabolite (with 1/1500 the activity of esmolol) and methanol.
DESCRIPTION
Esmolol is a β-blocker.
Marketed formulations may contain esmolol hydrochloride (PubChem CID 104769). (GtoPdb)
Marketed formulations may contain esmolol hydrochloride (PubChem CID 104769). (GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
25
BiasDB
ChEMBL Approved Drugs
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
DrugMatrix
Guide to Pharmacology
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
NCATS Inxight Approved Drugs
NIH Clinical Collections (NCC)
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
60
Molecular Weight
295.18
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
9
Ring Count
1
Aromatic Ring Count
1
cLogP
1.53
TPSA
67.79
Fraction CSP3
0.56
Chiral centers
1.0
Largest ring
6.0
QED
0.68
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
GPCR/G protein
Autophagy
Neuronal Signaling
Target
??-adrenergic receptor
Adrenergic Receptor
Mitophagy
Therapeutic Class
Antihypertensive Agents
Source data
