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Compound Detail

CHEMBL94454

MIZOLASTINE
💊 Approved Drug
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💊 Approved Drug
CN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL94454
Name MIZOLASTINE
Phase Approved
Structure Type MOL
InChI Key PVLJETXTTWAYEW-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Mizolastina Mizolastine Mizollen
2
Targets
10
Activities
2
Assay Types
0
PK Parameters
20
Publications
3
Known Names
1
Indications
1
Mechanisms

Molecular Properties

432.5
MW (Da)
3.41
ALogP
6
HBA
1
HBD
70.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1998
Availability Unknown
Chirality Achiral

Routes of Administration

Oral
USAN Stem -astine

Extended Properties

Molecular Formula C24H25FN6O
MW 432.50
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.60

Mechanism of Action

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

Indications

Hypersensitivity

ATC Classification

R06AX25
mizolastine
Level 1: RESPIRATORY SYSTEM
Level 2: ANTIHISTAMINES FOR SYSTEMIC USE

Activity Summary

IC50 8 meas. best 6.46
Ki 2 meas. best 8.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H1 receptor
CHEMBL231
 Ki 8.57 8.57 2.7 1
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 IC50 6.46 6.395 350.0 8
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 Ki 5.14 5.14 7258.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H1 receptor Ki = 2.7 nM 8.57 Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO... 19553115
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 350.0 nM 6.46 K+ channel blocking activity in human embryonic kidney cells expressing HERG Kv1... 12190308
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 354.81 nM 6.45 Inhibition of partially open human voltage-gated potassium channel subunit Kv11.... 15745831
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 354.81 nM 6.45 Inhibition of human ERG in MCF7 cells 19110341
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 436.52 nM 6.36 Inhibition of human Potassium channel HERG expressed in mammalian cells 12873512
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 436.52 nM 6.36 Inhibitory concentration against potassium channel HERG 15911273
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 436.52 nM 6.36 Inhibition of human ERG expressed in CHO cells by whole cell patch clamp techniq... 18448342
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 441.0 nM 6.36 Inhibition of human ERG channel expressed in HEK293 cells by patch clamp assay 19553115
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 436.52 nM 6.36 Inhibition of human ERG 21185626
Voltage-gated inwardly rectifying potassium channel KCNH2 Ki = 7258.0 nM 5.14 Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells ... 19553115

Literature References

PubMed DOI Target Context # Activities
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
20014752 10.1021/tx900326k Hepatotoxicity 3
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
37468498 10.1038/s41467-023-40064-9 Androgen receptor 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
19553115 10.1016/j.bmcl.2009.05.086 Voltage-gated inwardly rectifying potassium channel KCNH2 2
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
19553115 10.1016/j.bmcl.2009.05.086 Brain 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
19553115 10.1016/j.bmcl.2009.05.086 Muscarinic acetylcholine receptor M1 1
19110341 10.1016/j.ejmech.2008.11.009 Voltage-gated inwardly rectifying potassium channel KCNH2 1
18448342 10.1016/j.bmc.2008.04.028 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine