Isoetharine

Summary

Isoetharine (CHEMBL1201213) is an approved small molecule (ATC R03AC07); indicated across 1 condition including obstructive lung disease.

At a glance

• Status: Approved (max clinical phase 4)
• Modality: Small molecule
• ATC class: R03AC07 (+1 more)
• Indications: 1 condition
• Chemistry: 239.31 Da · C13H21NO3

Identifiers

Drug identity and classification

Field	Value
ChEMBL ID	CHEMBL1201213
Name	Isoetharine
Type	Small molecule
Max phase	4
FDA approved	no
PubChem CID	3762
ATC	R03AC07, R03CC06
Molecular formula	C13H21NO3
Molecular weight	239.31
InChIKey	HUYWAWARQUIQLE-UHFFFAOYSA-N

SMILES: CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C

IUPAC name: 4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol

Also known as: Dilabron, Etyprenaline, Isoetarina, Isoetarine, Isoetharine, Neoisuprel, WIN 3406, WIN-3046, WIN-3406, WIN3406, SID90341304, ISOETHARINE

Parent form; salt/anhydrous children: CHEMBL1200920, CHEMBL1201153

Patent coverage: 2,750 distinct patent families (11,575 SureChEMBL compound mentions), from 2 matched compound structure(s). One matched structure accounts for 11,568 (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: 5 (assay-derived). Sample: Beta-2 adrenergic receptor, Prostaglandin G/H synthase 2, Kappa-type opioid receptor, Sodium-dependent dopamine transporter, Prostaglandin G/H synthase 1.

Bioactivity

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

Target	pChembl	Type	Value	Unit	Activity ID
Q63921	6.18	AC50	660	nM	CHEMBL_ACT_25174569
ADRB2	6	Kd	1000	nM	CHEMBL_ACT_13449579
PTGS2	5.51	AC50	3100	nM	CHEMBL_ACT_25166361
ADRB2	5.26	AC50	5430	nM	CHEMBL_ACT_25123017
OPRK1	5.05	AC50	8947	nM	CHEMBL_ACT_25129594

Target pathways

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

Indications & clinical

Indications

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

Indication	Phase	MONDO	EFO
obstructive lung disease	4	MONDO:0002267	HP:0006536

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 or drug-level clinical/variant annotations in PharmGKB for this molecule.

Related molecules

Related molecules

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