Compound Detail
CHEMBL1626
CLEMASTINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1626 |
| Name | CLEMASTINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | YNNUSGIPVFPVBX-NHCUHLMSSA-N |
| Therapeutic | ✓ Yes |
31
Targets
72
Activities
2
Assay Types
2
PK Parameters
20
Publications
5
Known Names
10
Indications
Molecular Properties
343.9
MW (Da)
5.10
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.72
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1977 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Hypersensitivity Pruritus Angioedema Dermatitis Williams Syndrome Multiple Sclerosis Multiple Sclerosis, Relapsing-Remitting Optic Neuritis Schizophrenia Urticaria
ATC Classification
D04AA14
clemastine
Level 1: DERMATOLOGICALS
Level 2: ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
R06AA04
clemastine
Level 1: RESPIRATORY SYSTEM
Level 2: ANTIHISTAMINES FOR SYSTEMIC USE
R06AA54
clemastine, combinations
Level 1: RESPIRATORY SYSTEM
Level 2: ANTIHISTAMINES FOR SYSTEMIC USE
Activity Summary
Ki 38 meas. best 10.31
IC50 34 meas. best 9.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | Ki | 10.31 | 10.31 | 0.0 | 1 |
| Histamine H1 receptor CHEMBL231 | IC50 | 9.38 | 9.38 | 0.4 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 8.56 | 7.915 | 2.8 | 2 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 8.22 | 7.89 | 6.0 | 2 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 8.13 | 8.13 | 7.3 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | IC50 | 8.08 | 8.08 | 8.4 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 8.08 | 7.665 | 8.3 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.04 | 8.04 | 9.2 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.0 | 7.925 | 10.0 | 2 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 7.85 | 7.25 | 14.0 | 2 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 7.7 | 7.7 | 19.9 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 7.6 | 7.6 | 25.1 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.44 | 7.44 | 36.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | Ki | 7.39 | 7.39 | 41.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.35 | 7.35 | 45.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.28 | 7.28 | 52.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 7.16 | 6.965 | 69.0 | 2 |
| Alpha-1B adrenergic receptor CHEMBL315 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | IC50 | 7.02 | 7.02 | 95.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 7.0 | 7.0 | 99.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.93 | 6.93 | 117.5 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 6.87 | 6.87 | 136.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.85 | 6.585 | 142.0 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 6.8 | 6.645 | 158.5 | 2 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 6.74 | 6.74 | 183.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 6.66 | 6.66 | 220.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | IC50 | 6.51 | 6.51 | 311.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 6.45 | 6.45 | 359.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 6.44 | 6.44 | 364.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.4 | 6.4 | 395.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.35 | 6.1175 | 448.0 | 4 |
| Unchecked CHEMBL612545 | IC50 | 6.29 | 5.7171 | 508.0 | 7 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 6.27 | 6.27 | 538.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 6.17 | 6.17 | 678.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.12 | 6.12 | 767.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | IC50 | 5.81 | 5.81 | 1535.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 190.4 | - | Chlorocebus sabaeus |
| F | 49.0 | % | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine