Compound Detail

CHEMBL1200809

AZELASTINE HYDROCHLORIDE

💊 Approved Drug

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💊 Approved Drug

CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1.Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1200809
Name	AZELASTINE HYDROCHLORIDE
Phase	Approved
Structure Type	MOL
InChI Key	YEJAJYAHJQIWNU-UHFFFAOYSA-N
Therapeutic	✓ Yes
Parent Compound	CHEMBL639
Active Moiety	CHEMBL639

Known Names

A-5610 Astelin Astepro Astepro allergy Azelastine hcl Azelastine hydrochloride Azelastine hydrochloride component of dymista Children's astepro allergy E-0659 Optilast Optivar Rhinolast +2 more

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

381.9

MW (Da)

4.30

ALogP

HBA

HBD

38.1

PSA (Å²)

0.68

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	1996
Availability	OTC
Chirality	Racemic

Routes of Administration

Topical

USAN Stem	-astine
USAN Year	1984

Extended Properties

Molecular Formula	C22H25Cl2N3O
MW	418.37
Aromatic Rings	3
Heavy Atoms	27
NP-Likeness	-1.06

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Histamine H1 receptor antagonist	ANTAGONIST	Histamine H1 receptor	✓	✓

Indications

Conjunctivitis, Allergic Nasal Obstruction Rhinitis, Allergic Rhinitis, Allergic, Perennial Rhinitis, Allergic, Seasonal Rhinitis, Allergic, Seasonal Rhinitis, Vasomotor Common Cold

Activity Summary

Ki 18 meas. best 8.96

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Histamine H1 receptor CHEMBL231	Ki	8.96	8.96	1.1	1
Sigma intracellular receptor 2 CHEMBL4105907	Ki	7.5	7.5	32.0	1
Sigma non-opioid intracellular receptor 1 CHEMBL287	Ki	6.82	6.82	149.8	1
5-hydroxytryptamine receptor 2A CHEMBL224	Ki	6.64	6.64	229.6	1
Alpha-2B adrenergic receptor CHEMBL1942	Ki	6.64	6.64	230.3	1
Alpha-1D adrenergic receptor CHEMBL223	Ki	6.48	6.48	333.3	1
5-hydroxytryptamine receptor 7 CHEMBL3155	Ki	6.41	6.41	385.5	1
Alpha-1A adrenergic receptor CHEMBL229	Ki	6.3	6.3	495.8	1
D(1A) dopamine receptor CHEMBL2056	Ki	6.24	6.24	577.2	1
D(3) dopamine receptor CHEMBL234	Ki	6.2	6.2	636.4	1
5-hydroxytryptamine receptor 1D CHEMBL1983	Ki	6.05	6.05	885.4	1
D(2) dopamine receptor CHEMBL217	Ki	5.93	5.93	1176.5	1
Alpha-2A adrenergic receptor CHEMBL1867	Ki	5.84	5.84	1451.1	1
5-hydroxytryptamine receptor 6 CHEMBL3371	Ki	5.68	5.68	2092.4	1
Alpha-1B adrenergic receptor CHEMBL232	Ki	5.44	5.44	3638.3	1
Muscarinic acetylcholine receptor M1 CHEMBL216	Ki	5.37	5.37	4277.1	1
5-hydroxytryptamine receptor 1B CHEMBL1898	Ki	5.37	5.37	4230.6	1
5-hydroxytryptamine receptor 1E CHEMBL2182	Ki	5.27	5.27	5372.8	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Histamine H1 receptor	Ki	=	1.09	nM	8.96	PDSP Secondary Binding target: HRH1 - Compounds are tested at 10 uM concentratio...	-
Sigma intracellular receptor 2	Ki	=	31.96	nM	7.5	PDSP Secondary Binding target: TMEM97 - Compounds are tested at 10 uM concentrat...	-
Sigma non-opioid intracellular receptor 1	Ki	=	149.83	nM	6.82	PDSP Secondary Binding target: SIGMAR1 - Compounds are tested at 10 uM concentra...	-
Alpha-2B adrenergic receptor	Ki	=	230.35	nM	6.64	PDSP Secondary Binding target: ADRA2B - Compounds are tested at 10 uM concentrat...	-
5-hydroxytryptamine receptor 2A	Ki	=	229.61	nM	6.64	PDSP Secondary Binding target: HTR2A - Compounds are tested at 10 uM concentrati...	-
Alpha-1D adrenergic receptor	Ki	=	333.27	nM	6.48	PDSP Secondary Binding target: ADRA1D - Compounds are tested at 10 uM concentrat...	-
5-hydroxytryptamine receptor 7	Ki	=	385.48	nM	6.41	PDSP Secondary Binding target: HTR7 - Compounds are tested at 10 uM concentratio...	-
Alpha-1A adrenergic receptor	Ki	=	495.79	nM	6.3	PDSP Secondary Binding target: ADRA1A - Compounds are tested at 10 uM concentrat...	-
D(1A) dopamine receptor	Ki	=	577.17	nM	6.24	PDSP Secondary Binding target: DRD1 - Compounds are tested at 10 uM concentratio...	-
D(3) dopamine receptor	Ki	=	636.36	nM	6.2	PDSP Secondary Binding target: DRD3 - Compounds are tested at 10 uM concentratio...	-
5-hydroxytryptamine receptor 1D	Ki	=	885.42	nM	6.05	PDSP Secondary Binding target: HTR1D - Compounds are tested at 10 uM concentrati...	-
D(2) dopamine receptor	Ki	=	1176.52	nM	5.93	PDSP Secondary Binding target: DRD2 - Compounds are tested at 10 uM concentratio...	-
Alpha-2A adrenergic receptor	Ki	=	1451.11	nM	5.84	PDSP Secondary Binding target: ADRA2A - Compounds are tested at 10 uM concentrat...	-
5-hydroxytryptamine receptor 6	Ki	=	2092.42	nM	5.68	PDSP Secondary Binding target: HTR6 - Compounds are tested at 10 uM concentratio...	-
Alpha-1B adrenergic receptor	Ki	=	3638.31	nM	5.44	PDSP Secondary Binding target: ADRA1B - Compounds are tested at 10 uM concentrat...	-
Muscarinic acetylcholine receptor M1	Ki	=	4277.1	nM	5.37	PDSP Secondary Binding target: CHRM1 - Compounds are tested at 10 uM concentrati...	-
5-hydroxytryptamine receptor 1B	Ki	=	4230.58	nM	5.37	PDSP Secondary Binding target: HTR1B - Compounds are tested at 10 uM concentrati...	-
5-hydroxytryptamine receptor 1E	Ki	=	5372.79	nM	5.27	PDSP Secondary Binding target: HTR1E - Compounds are tested at 10 uM concentrati...	-

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL4689842	HEK-293T	345
-	10.6019/CHEMBL4689842	Fibroblast	344
-	10.6019/CHEMBL4689842	U2OS	343
-	10.6019/CHEMBL5724696	TERT-RPE1	24
-	10.6019/CHEMBL5724696	U2OS	24
-	10.6019/CHEMBL5209801	Glucose-dependent insulinotropic receptor	5
-	10.6019/CHEMBL5209801	Adhesion G-protein coupled receptor F1	5
-	10.6019/CHEMBL5209801	CX3C chemokine receptor 1	5
-	10.6019/CHEMBL5209801	Free fatty acid receptor 4	5
-	10.6019/CHEMBL5209801	Glucagon-like peptide 1 receptor	5
-	10.6019/CHEMBL5209801	Beta-2 adrenergic receptor	5
-	10.6019/CHEMBL5209801	Type-1 angiotensin II receptor	5
-	10.6019/CHEMBL5209801	C5a anaphylatoxin chemotactic receptor 1	5
-	10.6019/CHEMBL5209801	Apelin receptor	5
-	10.6019/CHEMBL5209801	N-formyl peptide receptor 2	5
-	10.6019/CHEMBL5209801	Alpha-2A adrenergic receptor	5
-	10.6019/CHEMBL5209801	Sphingosine 1-phosphate receptor 1	5
21381763	10.1021/jm1013874	No relevant target	2
-	10.6019/CHEMBL5209801	G-protein coupled receptor 35	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2

Data from ChEMBL 36 via Core Engine