Penbutolol

Summary

Penbutolol (CHEMBL1290) is an approved small molecule (ATC C07AA23); indicated across 1 condition including cardiovascular disorder.

At a glance

• Status: Approved (max clinical phase 4)
• Modality: Small molecule
• ATC class: C07AA23
• Indications: 1 condition
• Chemistry: 291.4 Da · C18H29NO2

Identifiers

Drug identity and classification

Field	Value
ChEMBL ID	CHEMBL1290
Name	Penbutolol
Type	Small molecule
Max phase	4
FDA approved	no
PubChem CID	37464
ATC	C07AA23
Molecular formula	C18H29NO2
Molecular weight	291.4
InChIKey	KQXKVJAGOJTNJS-HNNXBMFYSA-N

SMILES: CC(C)(C)NC[C@@H](COC1=CC=CC=C1C2CCCC2)O

IUPAC name: (2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol

Also known as: (-)-isopenbutolol, (-)-penbutolol, (s)-penbutolol, Penbutolol, penbutolol, Phenbutolol, PENBUTOLOL

Parent form; salt/anhydrous children: CHEMBL2361370

Patent coverage: 3,357 distinct patent families (13,838 SureChEMBL compound mentions), from 2 matched compound structure(s). One matched structure accounts for 13,837 (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

Broader ChEMBL bioactivity targets: 13 (assay-derived). Sample: Alpha-2A adrenergic receptor, D(1A) dopamine receptor, Thromboxane A2 receptor, 5-hydroxytryptamine receptor 1A, Muscarinic acetylcholine receptor M1, Prostaglandin G/H synthase 1, Sodium-dependent noradrenaline transporter, Sodium-dependent serotonin transporter, Alpha-1A adrenergic receptor, Mu-type opioid receptor.

Bioactivity

ChEMBL activities: 6 potent at pChembl ≥ 5 of 14 total. Top 30 by potency (10 = 0.1 nM, 6 = 1 µM):

Target	pChembl	Type	Value	Unit	Activity ID
P19327	8.62	Ki	2.4	nM	CHEMBL_ACT_860943
HTR1A	8.44	AC50	3.6	nM	CHEMBL_ACT_25165510
ADRA2A	6.01	AC50	966.4	nM	CHEMBL_ACT_25156915
ADRA1A	5.59	AC50	2540	nM	CHEMBL_ACT_25219267
SLC6A4	5.26	AC50	5532	nM	CHEMBL_ACT_25151813
DRD3	5.11	AC50	7741	nM	CHEMBL_ACT_25194997

Target pathways

No target-pathway data for this drug (no mapped target genes).

Indications & clinical

Indications

1 indication (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).

Indication	Trial phase	MONDO	EFO
cardiovascular disorder	4	MONDO:0004995	EFO:0000319

Clinical trials

Total trials: 0.

Clinical evidence (CIViC)

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

Pharmacology

Pharmacogenomics

No CPIC/DPWG dosing guideline, but PharmGKB curates 0 clinical and 1 variant annotation(s) for this drug (gene-keyed; see PharmGKB).

Related molecules

Related molecules

No competitor molecules sharing a primary target (ChEMBL phase ≥2 or PubChem drug-class).