Acebutolol

drug
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Also known as C07AB04acebtutolol

Summary

Acebutolol (CHEMBL642) is an approved small-molecule β-adrenergic antagonist (ATC C07AB04) targeting ADRB1; indicated across 5 conditions including cardiovascular disorder and hemangioma.

At a glance

  • Status: Approved (max clinical phase 4)
  • Modality: Small molecule
  • ATC class: C07AB04
  • Targets: 1 (ADRB1)
  • Indications: 5 conditions
  • Clinical trials: 3
  • Chemistry: 336.4 Da · C18H28N2O4

Identifiers

Drug identity and classification

FieldValue
ChEMBL IDCHEMBL642
NameAcebutolol
TypeSmall molecule
Max phase4
FDA approvedyes
PubChem CID1978
ChEBICHEBI:2379
ATCC07AB04
Molecular formulaC18H28N2O4
Molecular weight336.4
InChIKeyGOEMGAFJFRBGGG-UHFFFAOYSA-N

SMILES: CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C

IUPAC name: N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide

ChEBI definition: An ether that is the 2-acetyl-4-(butanoylamino)phenyl ether of the primary hydroxy group of 3-(propan-2-ylamino)propane-1,2-diol.

Pharmacological roles (ChEBI): β-adrenergic antagonist, anti-arrhythmia drug, antihypertensive agent, sympathomimetic agent.

Also known as: Acebutolol, C07AB04, acebtutolol, acebutolol, ACEBUTOLOL

Parent form; salt/anhydrous children: CHEMBL1200813

Patent coverage: 5,251 distinct patent families (20,882 SureChEMBL compound mentions), from 2 matched compound structure(s). One matched structure accounts for 20,817 (100%) of the total. 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-adrenoceptorAntagonist6.50%P08588

Broader ChEMBL bioactivity targets: 4 (assay-derived). Sample: Beta-2 adrenergic receptor, Beta-1 adrenergic receptor, 5-hydroxytryptamine receptor 1A, Solute carrier family 22 member 1.

Bioactivity

ChEMBL activities: 4 potent at pChembl ≥ 5 of 6 total. Top 100 by potency (10 = 0.1 nM, 6 = 1 µM):

TargetpChemblTypeValueUnitActivity ID
ADRB16.38Ki422nMCHEMBL_ACT_7631720
ADRB16.14IC50731nMCHEMBL_ACT_7631719
ADRB16AC501000nMCHEMBL_ACT_25121428
P193275Ki10000nMCHEMBL_ACT_843819

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

1 approved indication. FDA phase 4, plus an anticancer drug’s labelled cancer uses (which ChEMBL often logs at phase 3).

IndicationPhaseMONDOEFO
cardiovascular disorder4MONDO:0004995EFO:0000319

4 diseases in clinical trials (phase 1–3, investigational — not approved indications). Highest ChEMBL trial phase per disease; a non-cancer approved use is occasionally logged at phase 3 here.

Disease (in trials)PhaseMONDOEFO
hemangioma3MONDO:0006500EFO:1000635
hypertensive disorder2MONDO:0005044EFO:0000537
heart disorder2MONDO:0005267EFO:0003777
vascular disorder2MONDO:0005385EFO:0004264

Clinical trials

Total trials: 3.

Phase distribution

PhaseTrials
PHASE41
PHASE31
PHASE21

Top trials by phase / activity

NCTPhaseStatusTitle
NCT01514019PHASE4COMPLETEDAn Open-label, Single-dose, Two-treatment, Randomized, Cross-over Study to Investigate the Effects of the SLCO2B1 c.1457C>T Polymorphism and Apple Juice on the Pharmacokinetics and Pharmacodynamics of Acebutolol in Healthy Korean and Japanese Volunteers
NCT01743885PHASE3TERMINATEDEfficacy and Safety of Propranolol Versus Acebutolol on the Proliferative Phase of Infantile Hemangioma
NCT00000522PHASE2COMPLETEDTreatment of Mild Hypertension Study (TOMHS)

Clinical evidence (CIViC)

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

Pharmacology

Pharmacogenomics

PharmGKB dosing guidelines (2) — CPIC / DPWG genotype-guided dosing for this drug (drug × pharmacogene):

GuidelineSourceGene(s)DosingRecommendation
Annotation of CPIC Guideline for acebutolol, betaxolol, bisoprolol, caCPICCYP2D6
Annotation of CPIC Guideline for acebutolol, atenolol, betaxolol, bisoCPICADRA2C;ADRB1;GRK4;GRK5

PharmGKB also curates 0 clinical and 1 variant annotation(s) for this drug (gene-keyed; see PharmGKB).

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 100 by shared-target count:

MoleculeSourceStatusShared targets
OLODATEROLChEMBL + PubChemPhase 4 (approved)ADRB1
TAMSULOSINChEMBL + PubChemPhase 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
ESMOLOLChEMBLPhase 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
NADOLOLChEMBLPhase 4 (approved)ADRB1
NAFTOPIDILChEMBLPhase 4 (approved)ADRB1
NEBIVOLOLChEMBLPhase 4 (approved)ADRB1
NITAZOXANIDEChEMBLPhase 4 (approved)ADRB1
NOREPINEPHRINEChEMBLPhase 4 (approved)ADRB1
NORTRIPTYLINEChEMBLPhase 4 (approved)ADRB1
NOSCAPINEChEMBLPhase 4 (approved)ADRB1
OXPRENOLOLChEMBLPhase 4 (approved)ADRB1
OXYPERTINEChEMBLPhase 4 (approved)ADRB1
PHENYLEPHRINEChEMBLPhase 4 (approved)ADRB1
PIMOZIDEChEMBLPhase 4 (approved)ADRB1
PINDOLOLChEMBLPhase 4 (approved)ADRB1
PRACTOLOLChEMBLPhase 4 (approved)ADRB1
PRENYLAMINEChEMBLPhase 4 (approved)ADRB1
PRIMAQUINEChEMBLPhase 4 (approved)ADRB1
PROCHLORPERAZINEChEMBLPhase 4 (approved)ADRB1
PROPAFENONEChEMBLPhase 4 (approved)ADRB1
PROPRANOLOLChEMBLPhase 4 (approved)ADRB1
PYRVINIUMChEMBLPhase 4 (approved)ADRB1
RANOLAZINEChEMBLPhase 4 (approved)ADRB1
RIFAMPINChEMBLPhase 4 (approved)ADRB1
RIFAXIMINChEMBLPhase 4 (approved)ADRB1
RITODRINEChEMBLPhase 4 (approved)ADRB1
RUCAPARIBChEMBLPhase 4 (approved)ADRB1
SALMETEROLChEMBLPhase 4 (approved)ADRB1
SERTINDOLEChEMBLPhase 4 (approved)ADRB1
SERTRALINEChEMBLPhase 4 (approved)ADRB1
SORAFENIBChEMBLPhase 4 (approved)ADRB1
SOTALOLChEMBLPhase 4 (approved)ADRB1
SUNITINIBChEMBLPhase 4 (approved)ADRB1
TAMOXIFENChEMBLPhase 4 (approved)ADRB1
TEGASERODChEMBLPhase 4 (approved)ADRB1
THIORIDAZINEChEMBLPhase 4 (approved)ADRB1
TIMOLOLChEMBLPhase 4 (approved)ADRB1
TIOCONAZOLEChEMBLPhase 4 (approved)ADRB1
TROGLITAZONEChEMBLPhase 4 (approved)ADRB1
VALDECOXIBChEMBLPhase 4 (approved)ADRB1
VILANTEROLChEMBLPhase 4 (approved)ADRB1
AROTINOLOLChEMBLPhase 3ADRB1
AZELNIDIPINEChEMBLPhase 3ADRB1