Compound Detail
CHEMBL91397
RUPATADINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL91397 |
| Name | RUPATADINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | WUZYKBABMWJHDL-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
14
Publications
3
Known Names
5
Indications
2
Mechanisms
Molecular Properties
416.0
MW (Da)
5.63
ALogP
3
HBA
0
HBD
29.0
PSA (Ų)
0.54
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2001 |
| Availability | Unknown |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Platelet activating factor receptor antagonist | ANTAGONIST | Platelet-activating factor receptor | ✓ | ✓ |
| Histamine H1 receptor antagonist | ANTAGONIST | Histamine H1 receptor | ✓ | ✓ |
Indications
Hypersensitivity Arthritis, Rheumatoid Urticaria Cold Urticaria Mastocytosis
ATC Classification
R06AX28
rupatadine
Level 1: RESPIRATORY SYSTEM
Level 2: ANTIHISTAMINES FOR SYSTEMIC USE
Activity Summary
IC50 5 meas. best 8.41
Ki 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Platelet-activating factor receptor CHEMBL250 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.12 | 4.12 | 76000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 3.9 | nM | 8.41 | Tested for concentration required to inhibit H1 histamine -induced guinea pig il... | 7914928 |
| Histamine H1 receptor | IC50 | = | 3.9 | nM | 8.41 | Inhibitory concentration against histamine H1 receptor | 16220969 |
| Histamine H1 receptor | Ki | = | 3.981 | nM | 8.4 | Displacement of [3H]mepyramine from N-terminal HA-tagged H1R (unknown origin) ex... | 31274307 |
| Oryctolagus cuniculus | IC50 | = | 3700.0 | nM | 5.43 | Concentration required to inhibit PAF-induced maximum aggregation | 7914928 |
| Platelet-activating factor receptor | IC50 | = | 3700.0 | nM | 5.43 | Inhibitory concentration against platelet activating factor receptor | 16220969 |
| Unchecked | IC50 | = | 76000.0 | nM | 4.12 | Inhibition of protein farnesyltransferase by continuous fluorescence assay | 20180535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31274307 | 10.1021/acs.jmedchem.9b00447 | Histamine H1 receptor | 6 |
| 7914928 | 10.1021/jm00043a009 | Mus musculus | 5 |
| 7914928 | 10.1021/jm00043a009 | Rattus norvegicus | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 7914928 | 10.1021/jm00043a009 | Oryctolagus cuniculus | 1 |
| 7914928 | 10.1021/jm00043a009 | Cavia porcellus | 1 |
| 16220969 | 10.1021/jm058225d | Platelet-activating factor receptor | 1 |
| 16220969 | 10.1021/jm058225d | Histamine H1 receptor | 1 |
| 20180535 | 10.1021/jm901613f | Unchecked | 1 |
| 25318072 | 10.1021/jm501086v | Sodium-dependent neutral amino acid transporter B(0)AT2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine