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Esmolol

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Summary

Esmolol (CHEMBL768) is an approved small molecule (ATC C07AB09) targeting ADRB1; indicated across 13 conditions including cardiovascular disorder and toxic shock syndrome.

At a glance

  • Status: Approved (max clinical phase 4)
  • Modality: Small molecule
  • ATC class: C07AB09
  • Targets: 1 (ADRB1)
  • Indications: 13 conditions
  • Clinical trials: 75
  • Chemistry: 295.37 Da · C16H25NO4

Identifiers

Drug identity and classification

FieldValue
ChEMBL IDCHEMBL768
NameEsmolol
TypeSmall molecule
Max phase4
FDA approvedyes
PubChem CID59768
ChEBICHEBI:88206
ATCC07AB09
Molecular formulaC16H25NO4
Molecular weight295.37
InChIKeyAQNDDEOPVVGCPG-UHFFFAOYSA-N

SMILES: CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O

IUPAC name: methyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate

ChEBI definition: A methyl ester that is methyl 3-(4-hydroxyphenyl)propanoate in which the hydrogen attached to the phenolic hydroxy group is substituted by a 2-hydroxy-3-(isopropylamino)propyl group.

Also known as: Esmolol, esmolol, ESMOLOL

Parent form; salt/anhydrous children: CHEMBL1201115

Patent coverage: 3,800 distinct patent families (15,101 SureChEMBL compound mentions), from 1 matched compound structure(s). Mentions count patents naming the compound (not distinct inventions), so promiscuous / reference molecules inflate the mention figure — families are the dedup metric.

Targets

Targets

Primary targets (GtoPdb curated mechanism): the Cancer dependency column is the DepMap CRISPR fitness signal (% of screened cell lines dependent on the target).

GeneTargetActionpAffinityCancer dependencyUniProt
ADRB1β1-adrenoceptorAntagonist6.90%P08588

Broader ChEMBL bioactivity targets: 3 (assay-derived). Sample: Beta-2 adrenergic receptor, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor.

Bioactivity

ChEMBL activities: 4 potent at pChembl ≥ 5 of 5 total. Top 30 by potency (10 = 0.1 nM, 6 = 1 µM):

TargetpChemblTypeValueUnitActivity ID
ADRB16.94Ki113.7nMCHEMBL_ACT_7648034
ADRB16.71IC50197nMCHEMBL_ACT_7648033
ADRB16.07AC50855.6nMCHEMBL_ACT_25121569
Q8K4Z45.2Kd6310nMCHEMBL_ACT_116484

Target pathways

Aggregated over 1 target gene(s): ADRB1.

Top Reactome pathways

8 total, by targets touching each:

PathwayTargetsGenes
Signal Transduction1ADRB1
Signaling by GPCR1ADRB1
Class A/1 (Rhodopsin-like receptors)1ADRB1
Amine ligand-binding receptors1ADRB1
GPCR downstream signalling1ADRB1
Adrenoceptors1ADRB1
G alpha (s) signalling events1ADRB1
GPCR ligand binding1ADRB1

Dominant GO biological processes

GO termTargets
positive regulation of heart rate by epinephrine-norepinephrine1
positive regulation of the force of heart contraction by epinephrine-norepinephrine1
diet induced thermogenesis1
norepinephrine-epinephrine-mediated vasodilation involved in regulation of systemic arterial blood pressure1
adenylate cyclase-activating G protein-coupled receptor signaling pathway1
response to cold1
positive regulation of cardiac muscle cell apoptotic process1
heat generation1
negative regulation of multicellular organism growth1
fear response1
positive regulation of MAPK cascade1
regulation of circadian sleep/wake cycle, sleep1
brown fat cell differentiation1
adenylate cyclase-activating adrenergic receptor signaling pathway1
positive regulation of cold-induced thermogenesis1

Indications & clinical

Indications

13 indications (1 at ChEMBL trial phase 4). Phase below is the highest clinical-trial phase recorded for this drug against each disease — not the molecule’s overall approval status (that is in the Summary).

IndicationTrial phaseMONDOEFO
cardiovascular disorder4MONDO:0004995EFO:0000319
toxic shock syndrome3MONDO:0001881EFO:0006834
brain aneurysm3MONDO:0005291EFO:0003870
coronary artery disorder3MONDO:0005010EFO:0001645
acute respiratory distress syndrome3MONDO:0006502EFO:1000637
cerebral arterial disease3MONDO:0006693EFO:1000859
atrial fibrillation2MONDO:0004981EFO:0000275
sinusitis2MONDO:0005961EFO:0007486
brain neoplasm1MONDO:0021211EFO:0003833
ovarian cyst1MONDO:0003282HP:0000138
ischemia reperfusion injury1MONDO:0005203EFO:0002687

2 further indication records had no mapped disease name (EFO/MeSH-only) or were duplicates, and are omitted.

Clinical trials

Total trials: 75.

Phase distribution

PhaseTrials
PHASE424
Not specified20
PHASE215
PHASE36
PHASE1/PHASE24
PHASE2/PHASE33
PHASE12
EARLY_PHASE11

Top trials by phase / activity

NCTPhaseStatusTitle
NCT05635877PHASE4RECRUITINGEffects of Low-dose Esmolol on Myocardial Injury After Non-cardiac Surgery in Elderly Frail Patients
NCT06958393PHASE4NOT_YET_RECRUITINGEffect of Opioid-free Anaesthesia on Postoperative Delirium in Elderly Patients Undergoing Gastrointestinal Surgery
NCT07019818PHASE4RECRUITINGEsmolol Versus Sufentanil on the Quality of Post-cholecystectomy Recovery Laparoscopic Anaesthesia With Orotracheal Intubation on an Outpatient Basis
NCT00959569PHASE4COMPLETEDEsmolol in Cardiac Surgery
NCT01114971PHASE4COMPLETEDLabetalol and Esmolol: Vital Signs and Post Operative Pain Management
NCT01114997PHASE4TERMINATEDEffect of Lidocaine and Esmolol to Improve the Quality of Recovery
NCT01171911PHASE4UNKNOWNComparison of Intravenous Injection of Calcium Antagonist and Beta-blockade on Endothelial Shear Stress of Coronary Artery
NCT01179113PHASE4TERMINATEDEsmolol Infusion During Laminectomy: Effect on Quality of Recovery
NCT01404767PHASE4TERMINATEDTight Hemodynamic Control in Patients Who Are Chronically on Metoprolol
NCT01628562PHASE4COMPLETEDA Comparison of the Perioperative Hemodynamic Effects of Remifentanil and Esmolol in Intracranial Surgery
NCT01752959PHASE4UNKNOWNA Comparison of Esmolol and Remifentanil to Reduce Blood Loss
NCT01824758PHASE4COMPLETEDEffect of Esmolol on Pain Due to Rocuronium
NCT02062333PHASE4COMPLETEDThe Effects of the Drugs Used in Hypotensive Anaesthesia on Cochlea
NCT02327923PHASE4COMPLETEDIntraoperative Lidocaine Infusion vs. Esmolol Infusion for Postoperative Analgesia in Laparoscopic Cholecystectomy
NCT02466542PHASE4COMPLETEDAnalgesic Effect of Intraoperative Esmolol in Mastectomies
NCT02844894PHASE4UNKNOWNHemodynamic Response to Intubation
NCT03533179PHASE4COMPLETEDGlucagon’s Cardiovascular Effects With and Without Beta-blocker-induced Cardioinhibition
NCT03549923PHASE4COMPLETEDEvaluation of Early CRRT InTerventions in Patients With ECMO(ELITE)
NCT03612492PHASE4UNKNOWNThe Effects of Lidocaine and Esmolol on Attenuation of Hemodynamic Response to Orotracheal Intubation
NCT04086940PHASE4UNKNOWNRole of Intraoperative Beta Blocker for Morbid Obese Patients Undergoing Laparoscopic Bariatric Surgery
NCT04264286PHASE4UNKNOWNThe Effects of Esmolol on the Hemodynamic Response to Orotracheal Extubation
NCT04752111PHASE4COMPLETEDDose Esmolol Infusion Have an Adjuvant Effect to TAP Block for Pain Control in Laparoscopic Cholecystectomy.
NCT05073094PHASE4UNKNOWNEsmolol for Myocardial Protection in Hypertrophic Obstructive Cardiomyopathy
NCT05694585PHASE4UNKNOWNEffect of Esmolol on Perioperative Stress Reaction
NCT06013319PHASE3RECRUITINGEffect of Esmolol on Oxygenation Index in Patients With Acute Respiratory Distress Syndrome
NCT00348101PHASE3COMPLETEDEffects of Beta-Blocker Therapy and Phosphodiesterase Inhibition on Cardiac Neurohormonal Activation
NCT00922467PHASE3TERMINATEDInfluence of Esmolol on a Closed-Loop Anesthesia System
NCT01208402PHASE3TERMINATEDEsmolol for Treatment of Perioperative Tachycardia
NCT02455440PHASE3COMPLETEDEsmolol Infusion in Patients Undergoing Craniotomy
NCT02563288PHASE3UNKNOWNEsmolol Versus Dexmedetomidine During Intracranial Procedures
NCT02842983PHASE2/PHASE3UNKNOWNPilot Study: Echocardiographic and Hemodynamic Effects of Esmolol in Septic Shock Patients
NCT04356352PHASE2/PHASE3TERMINATEDLidocaine, Esmolol, or Placebo to Relieve IV Propofol Pain
NCT05850832PHASE2/PHASE3COMPLETEDEfficacy of Esmolol Versus Magnesium Sulphate on Quality of Recovery in Patients Undergoing Laparoscopic Cholecystectomy: Randomized Controlled Study
NCT06457100PHASE1/PHASE2ACTIVE_NOT_RECRUITINGEsmolol Versus Lidocaine on the Quality of Postoperative Recovery in Patients Undergoing Functional Endoscopic Sinus Surgery
NCT06522594PHASE2RECRUITINGREMAP ECMO - Beta Receptor Modulation Trial
NCT07313605PHASE1/PHASE2NOT_YET_RECRUITINGPOCUS-Guided Esmolol in Septic Shock: A Pilot RCT
NCT00302692PHASE2UNKNOWNUse of Beta Blockers in Elderly Trauma Patients
NCT00713401PHASE2COMPLETEDSafety Study of Tecadenoson to Treat Atrial Fibrillation
NCT01231698PHASE2COMPLETEDHeart Rate Control With Esmolol in Septic Shock
NCT01313143PHASE2COMPLETEDA Short Term Pharmacokinetic, Pharmacodynamic and Tolerability Study to Compare AOP200704 vs. Esmolol

Clinical evidence (CIViC)

No CIViC predictive evidence (expected for non-precision-medicine drugs).

Pharmacology

Pharmacogenomics

PharmGKB dosing guidelines (1) — CPIC / DPWG genotype-guided dosing for this drug (drug × pharmacogene):

GuidelineSourceGene(s)DosingRecommendation
Annotation of CPIC Guideline for acebutolol, atenolol, betaxolol, bisoCPICADRA2C;ADRB1;GRK4;GRK5

Molecules sharing ≥1 of this drug’s curated primary targets, merged from two biobtree sources and ranked by shared-target count, then clinical phase: ChEMBL clinical-stage candidates (development phase ≥2) and PubChem drug-class bioactivity (approved / known drugs acting on the target). Deduplicated by drug name; the drug’s own salt forms are excluded. Note: for a drug with few primary targets a shared-target match can reflect off-target / promiscuous binding rather than the same therapeutic mechanism — the phase ordering surfaces bona-fide therapeutics first.

179 molecules share ≥1 primary target. Top 60 by shared-target count:

MoleculeSourceStatusShared targets
OLODATEROLChEMBL + PubChemPhase 4 (approved)ADRB1
TAMSULOSINChEMBL + PubChemPhase 4 (approved)ADRB1
ACEBUTOLOLChEMBLPhase 4 (approved)ADRB1
ALBUTEROLChEMBLPhase 4 (approved)ADRB1
AMIODARONEChEMBLPhase 4 (approved)ADRB1
AMITRIPTYLINEChEMBLPhase 4 (approved)ADRB1
ARFORMOTEROLChEMBLPhase 4 (approved)ADRB1
ARIPIPRAZOLEChEMBLPhase 4 (approved)ADRB1
ASTEMIZOLEChEMBLPhase 4 (approved)ADRB1
ATENOLOLChEMBLPhase 4 (approved)ADRB1
AZELASTINEChEMBLPhase 4 (approved)ADRB1
BENFLUOREXChEMBLPhase 4 (approved)ADRB1
BENPERIDOLChEMBLPhase 4 (approved)ADRB1
BENZBROMARONEChEMBLPhase 4 (approved)ADRB1
BEPRIDILChEMBLPhase 4 (approved)ADRB1
BETAXOLOLChEMBLPhase 4 (approved)ADRB1
BISOPROLOLChEMBLPhase 4 (approved)ADRB1
BREXPIPRAZOLEChEMBLPhase 4 (approved)ADRB1
BROMOCRIPTINEChEMBLPhase 4 (approved)ADRB1
CANDESARTAN CILEXETILChEMBLPhase 4 (approved)ADRB1
CARIPRAZINEChEMBLPhase 4 (approved)ADRB1
CARTEOLOLChEMBLPhase 4 (approved)ADRB1
CARVEDILOLChEMBLPhase 4 (approved)ADRB1
CELIPROLOLChEMBLPhase 4 (approved)ADRB1
CHLORHEXIDINEChEMBLPhase 4 (approved)ADRB1
CHLORPROTHIXENEChEMBLPhase 4 (approved)ADRB1
CINACALCETChEMBLPhase 4 (approved)ADRB1
CLEMASTINEChEMBLPhase 4 (approved)ADRB1
CLOMIPRAMINEChEMBLPhase 4 (approved)ADRB1
CLOTRIMAZOLEChEMBLPhase 4 (approved)ADRB1
CODEINEChEMBLPhase 4 (approved)ADRB1
DARIFENACINChEMBLPhase 4 (approved)ADRB1
DAUNORUBICINChEMBLPhase 4 (approved)ADRB1
DECITABINEChEMBLPhase 4 (approved)ADRB1
DIETHYLSTILBESTROLChEMBLPhase 4 (approved)ADRB1
DOBUTAMINEChEMBLPhase 4 (approved)ADRB1
DOMPERIDONEChEMBLPhase 4 (approved)ADRB1
DULOXETINEChEMBLPhase 4 (approved)ADRB1
EBASTINEChEMBLPhase 4 (approved)ADRB1
ECONAZOLEChEMBLPhase 4 (approved)ADRB1
EFAVIRENZChEMBLPhase 4 (approved)ADRB1
EPALRESTATChEMBLPhase 4 (approved)ADRB1
EPINEPHRINEChEMBLPhase 4 (approved)ADRB1
ERGOTAMINEChEMBLPhase 4 (approved)ADRB1
FENOTEROLChEMBLPhase 4 (approved)ADRB1
FLUSPIRILENEChEMBLPhase 4 (approved)ADRB1
FORMOTEROLChEMBLPhase 4 (approved)ADRB1
INDACATEROLChEMBLPhase 4 (approved)ADRB1
INDOCYANINE GREEN ACID FORMChEMBLPhase 4 (approved)ADRB1
ISOCONAZOLEChEMBLPhase 4 (approved)ADRB1
ISOPROTERENOLChEMBLPhase 4 (approved)ADRB1
LABETALOLChEMBLPhase 4 (approved)ADRB1
LASOFOXIFENEChEMBLPhase 4 (approved)ADRB1
LEVOBUNOLOLChEMBLPhase 4 (approved)ADRB1
LORCASERINChEMBLPhase 4 (approved)ADRB1
METARAMINOLChEMBLPhase 4 (approved)ADRB1
METHYLERGONOVINEChEMBLPhase 4 (approved)ADRB1
METOPROLOLChEMBLPhase 4 (approved)ADRB1
MICONAZOLEChEMBLPhase 4 (approved)ADRB1
MONTELUKASTChEMBLPhase 4 (approved)ADRB1

About this page

Generated deterministically by Sugi Atlas from primary biomedical databases via BioBTree. Every record on this page traces to a primary source.

Generated
Atlas version
v1.1.2
BioBTree
v2.0.2

Sources 30

This page pulls from 30 datasets indexed by BioBTree:

chebichembl_activitychembl_moleculechembl_targetcivic_evidenceclingen_dosageclinical_trialsdepmapefoensemblentrezgogoparentgtopdbgtopdb_interactiongtopdb_ligandhgncmeshmondomsigdbpatent_compoundpharmgkbpharmgkb_guidelinepubchempubchem_activityreactomereactomeparentrefseqtranscriptuniprot