Compound Detail
CHEMBL70972
SERATRODAST 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL70972 |
| Name | SERATRODAST |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | ZBVKEHDGYSLCCC-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
2
PK Parameters
20
Publications
8
Known Names
1
Indications
1
Mechanisms
Molecular Properties
354.4
MW (Da)
4.61
ALogP
3
HBA
1
HBD
71.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1995 |
| Availability | Unknown |
| Chirality | Racemic |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Thromboxane A2 receptor antagonist | ANTAGONIST | Thromboxane A2 receptor | ✓ | ✓ |
Indications
Lung Diseases, Obstructive
ATC Classification
R03DX06
seratrodast
Level 1: RESPIRATORY SYSTEM
Level 2: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Activity Summary
IC50 4 meas. best 8.13
Kd 3 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | Kd | 8.29 | 8.29 | 5.1 | 2 |
| Oryctolagus cuniculus CHEMBL374 | Kd | 8.28 | 8.28 | 5.2 | 1 |
| Thromboxane A2 receptor CHEMBL2069 | IC50 | 8.13 | 8.13 | 7.4 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 6.46 | 6.46 | 350.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 85.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 3.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | Kd | = | 5.129 | nM | 8.29 | Tested for inhibition of U-46619-induced contraction of the guinea pig lung memb... | 10522708 |
| Cavia porcellus | Kd | = | 5.129 | nM | 8.29 | In vitro concentration that reduced U-44069-induced contraction of guinea pig lu... | 2769691 |
| Oryctolagus cuniculus | Kd | = | 5.248 | nM | 8.28 | In vitro concentration that reduced U-44069-induced contraction of the rabbit ao... | 2769691 |
| Thromboxane A2 receptor | IC50 | = | 7.4 | nM | 8.13 | In vitro concentration that reduced specific binding of [3H]U-440619 to guinea p... | 2769691 |
| Oryctolagus cuniculus | IC50 | = | 100.0 | nM | 7.0 | In vitro concentration that reduced U-44069-induced contraction of the rabbit ao... | 2769691 |
| Cavia porcellus | IC50 | = | 350.0 | nM | 6.46 | Tested for inhibition of U-44069-induced aggregation of guinea pig platelets | 10522708 |
| Cavia porcellus | IC50 | = | 350.0 | nM | 6.46 | In vitro concentration that reduced U-44069-induced aggregation of guinea pig pl... | 2769691 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303300 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5303300 | U2OS | 304 |
| - | 10.6019/CHEMBL5303300 | HEK-293T | 304 |
| 2769691 | 10.1021/jm00129a030 | Cavia porcellus | 18 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 5 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 5 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 5 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 5 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 5 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 5 |
| 2769691 | 10.1021/jm00129a030 | Oryctolagus cuniculus | 5 |
| - | 10.6019/CHEMBL5058564 | U2OS | 3 |
| - | 10.6019/CHEMBL3301361 | ADMET | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 3 |
Data from ChEMBL 36 via Core Engine