Emedastine

Summary

Emedastine (CHEMBL594) is an approved small-molecule H1-receptor antagonist (ATC S01GX06); indicated across 1 condition including eye allergy.

At a glance

• Status: Approved (max clinical phase 4)
• Modality: Small molecule
• ATC class: S01GX06
• Indications: 1 condition
• Chemistry: 302.4 Da · C17H26N4O

Identifiers

Drug identity and classification

Field	Value
ChEMBL ID	CHEMBL594
Name	Emedastine
Type	Small molecule
Max phase	4
FDA approved	no
PubChem CID	3219
ChEBI	CHEBI:4779
ATC	S01GX06
Molecular formula	C17H26N4O
Molecular weight	302.4
InChIKey	KBUZBQVCBVDWKX-UHFFFAOYSA-N

SMILES: CCOCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)C

IUPAC name: 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole

ChEBI definition: 1-Methyl-1,4-diazepane in which the hydrogen attached to the nitrogen at position 4 is substituted by a 1-(2-ethoxyethyl)-1H-benzimidazol-2-yl group. A relatively selective histamine H1 antagonist, it is used as the difumatate salt for allergic rhinitis, urticaria, and pruritic skin disorders, and in eyedrops for the symptomatic relief of allergic conjuntivitis.

Pharmacological roles (ChEBI): H1-receptor antagonist, anti-allergic agent, antipruritic drug.

Also known as: Emedastina, Emedastine, SID50125935, emedastine, EMEDASTINE

Parent form; salt/anhydrous children: CHEMBL2103739

Patent coverage: 1,071 distinct patent families (4,120 SureChEMBL compound mentions), from 2 matched compound structure(s). One matched structure accounts for 4,041 (98%) 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: 1 (assay-derived). Sample: Histamine H1 receptor.

Bioactivity

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

Target	pChembl	Type	Value	Unit	Activity ID
P31389	8.21	IC50	6.1	nM	CHEMBL_ACT_1234356

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
eye allergy	4	MONDO:0005551	EFO:0005751

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).