Compound Detail
CHEMBL1172
DESLORATADINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1172 |
| Name | DESLORATADINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | JAUOIFJMECXRGI-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
28
Targets
67
Activities
4
Assay Types
8
PK Parameters
20
Publications
24
Known Names
14
Indications
1
Mechanisms
Molecular Properties
310.8
MW (Da)
4.02
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2001 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Histamine H1 receptor antagonist | ANTAGONIST | Histamine H1 receptor | ✓ | ✓ |
Indications
Hypersensitivity Rhinitis, Allergic, Perennial Rhinitis, Allergic, Seasonal Rhinitis, Allergic, Seasonal Urticaria Common Cold Conjunctivitis, Allergic Dermatitis Eczema Multiple Sclerosis Multiple Sclerosis, Chronic Progressive Pruritus Carcinoma, Non-Small-Cell Lung Lecithin Cholesterol Acyltransferase Deficiency
ATC Classification
R06AX27
desloratadine
Level 1: RESPIRATORY SYSTEM
Level 2: ANTIHISTAMINES FOR SYSTEMIC USE
Activity Summary
IC50 40 meas. best 9.19
Ki 23 meas. best 9.01
EC50 3 meas. best 5.18
Kd 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | IC50 | 9.19 | 7.4333 | 0.6 | 6 |
| Histamine H1 receptor CHEMBL231 | Ki | 9.01 | 8.9167 | 1.0 | 3 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.03 | 8.03 | 9.4 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| Histamine H1 receptor CHEMBL231 | Kd | 7.62 | 7.62 | 24.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.55 | 7.55 | 28.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 7.42 | 7.42 | 38.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 7.33 | 7.33 | 47.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 7.19 | 7.19 | 64.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 7.02 | 7.02 | 95.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 6.97 | 6.97 | 107.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 6.91 | 6.91 | 122.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 6.68 | 6.68 | 210.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 6.61 | 6.48 | 243.0 | 2 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 6.57 | 6.57 | 267.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | IC50 | 6.54 | 6.54 | 292.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | IC50 | 6.47 | 6.47 | 339.0 | 1 |
| Glycine receptor CHEMBL3392921 | Ki | 6.33 | 6.33 | 471.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.19 | 6.19 | 647.0 | 1 |
| Glycine receptor CHEMBL3392921 | IC50 | 6.08 | 6.08 | 834.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.01 | 6.01 | 980.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.0 | 6.0 | 1008.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 5.97 | 5.97 | 1080.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.96 | 5.96 | 1107.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | IC50 | 5.96 | 5.96 | 1099.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.95 | 5.95 | 1116.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 5.72 | 5.72 | 1906.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.71 | 5.71 | 1950.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | Ki | 5.7 | 5.7 | 2005.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | IC50 | 5.67 | 5.67 | 2146.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 5.66 | 5.66 | 2171.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.57 | 5.43 | 2708.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.55 | 4.998 | 2786.0 | 5 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.51 | 5.51 | 3082.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | IC50 | 5.44 | 5.44 | 3623.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 5.41 | 5.41 | 3879.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.18 | 5.18 | 6660.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.98 | 4.98 | 10500.0 | 2 |
| HT-29 CHEMBL384 | IC50 | 4.95 | 4.95 | 11200.0 | 2 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.92 | 4.92 | 12100.0 | 2 |
| Histamine H4 receptor CHEMBL3759 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 4.8 | 4.8 | 16000.0 | 1 |
| ADMET CHEMBL612558 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 26.92 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 4.8 | mL.min-1.g-1 | Homo sapiens |
| Cmax | 1176.1 | ng/g | Rattus norvegicus |
| Cmax | 843.3 | ng/g | Rattus norvegicus |
| Cmax | 548.8 | ng/g | Rattus norvegicus |
| Cmax | 111.9 | ng/g | Rattus norvegicus |
| Fu | 0.19 | - | Rattus norvegicus |
| Fu | 0.008 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine