Compound Detail
CHEMBL1200618
FEXOFENADINE HYDROCHLORIDE 💊 Approved Drug
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💊 Approved Drug
CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl
4
Targets
4
Activities
2
Assay Types
14
PK Parameters
20
Publications
17
Known Names
6
Indications
1
Mechanisms
Molecular Properties
501.7
MW (Da)
5.51
ALogP
4
HBA
3
HBD
81.0
PSA (Ų)
0.34
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1996 |
| Availability | OTC |
| Chirality | Racemic |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Histamine H1 receptor antagonist | ANTAGONIST | Histamine H1 receptor | ✓ | ✓ |
Indications
Hypersensitivity Rhinitis, Allergic, Seasonal Rhinitis, Allergic, Seasonal Urticaria Rhinitis, Allergic, Perennial Kidney Calculi
Activity Summary
Ki 3 meas. best 7.03
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | Ki | 7.03 | 7.03 | 93.1 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.63 | 5.63 | 2350.2 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.05 | 5.05 | 8806.4 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 380.73 | nM | Homo sapiens |
| Cmax | 508.3 | nM | Homo sapiens |
| Cmax | 283.05 | nM | Homo sapiens |
| Cmax | 261.13 | nM | Homo sapiens |
| Cmax | 984.71 | nM | Homo sapiens |
| Cmax | 175.41 | nM | Homo sapiens |
| Excretion | 11.0 | % | Homo sapiens |
| Excretion | 80.0 | % | Homo sapiens |
| T1/2 | 14.4 | hr | Homo sapiens |
| Tmax | 2.0 | hr | Homo sapiens |
| Tmax | 2.0 | hr | Homo sapiens |
| Tmax | 2.6 | hr | Homo sapiens |
| Tmax | 2.0 | hr | Homo sapiens |
| Tmax | 1.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Ki | = | 93.11 | nM | 7.03 | PDSP Secondary Binding target: HRH1 - Compounds are tested at 10 uM concentratio... | - |
| D(3) dopamine receptor | Ki | = | 2350.17 | nM | 5.63 | PDSP Secondary Binding target: DRD3 - Compounds are tested at 10 uM concentratio... | - |
| D(2) dopamine receptor | Ki | = | 8806.43 | nM | 5.05 | PDSP Secondary Binding target: DRD2 - Compounds are tested at 10 uM concentratio... | - |
| Plasmodium falciparum | IC50 | = | 10000.0 | nM | 5.0 | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... | 19734910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4689842 | HEK-293T | 10 |
| 25740159 | 10.1016/j.bmcl.2015.02.013 | No relevant target | 9 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 9 |
| - | 10.6019/CHEMBL4689842 | U2OS | 8 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 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 | Glucose-dependent insulinotropic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 5 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 5 |
| - | 10.1007/s00044-009-9285-6 | Serum | 5 |
| - | 10.6019/CHEMBL5209801 | G-protein coupled receptor 35 | 2 |
| - | 10.6019/CHEMBL5665443 | Uracil-DNA glycosylase | 1 |
| - | 10.6019/CHEMBL4513141 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine