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Compound Detail

CHEMBL1623

MECLIZINE
💊 Approved Drug
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💊 Approved Drug
Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1

Basic Information

ChEMBL ID CHEMBL1623
Name MECLIZINE
Phase Approved
Structure Type MOL
InChI Key OCJYIGYOJCODJL-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Meclizine Meclozina Meclozine NSC-169189
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
4
Known Names
5
Indications

Molecular Properties

391.0
MW (Da)
5.56
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.56
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1957
Availability Prescription
Chirality Racemic

Routes of Administration

Oral

Flags

Natural Product

Extended Properties

Molecular Formula C25H27ClN2
MW 390.96
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.46

Indications

Hypersensitivity Vertigo Motion Sickness Smoking Cessation Carcinoma, Hepatocellular

ATC Classification

R06AE05
meclozine
Level 1: RESPIRATORY SYSTEM
Level 2: ANTIHISTAMINES FOR SYSTEMIC USE
R06AE55
meclozine, combinations
Level 1: RESPIRATORY SYSTEM
Level 2: ANTIHISTAMINES FOR SYSTEMIC USE

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine protease hepsin
CHEMBL2079849
IC50 5.7 5.7 2020.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine protease hepsin IC50 = 2020.0 nM 5.7 High-Throughput Screening Assay: To identify novel inhibitors of hepsin, the Che... -

Literature References

PubMed DOI Target Context # Activities
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 6
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 4
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 4
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 4
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 4
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 3
20014752 10.1021/tx900326k Hepatotoxicity 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 3
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 3
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 3
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 3
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 3
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 3
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 2
37468498 10.1038/s41467-023-40064-9 Adenosine receptor A3 2
37468498 10.1038/s41467-023-40064-9 Sodium-dependent noradrenaline transporter 2
22931300 10.1021/tx300075j Liver microsomes 2
22931300 10.1021/tx300075j Cytochrome P450 3A4 2
37468498 10.1038/s41467-023-40064-9 Sodium-dependent serotonin transporter 2

Data from ChEMBL 36 via Core Engine