Compound Detail
CHEMBL1206690
PARECOXIB 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1206690 |
| Name | PARECOXIB |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | TZRHLKRLEZJVIJ-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
| Active Moiety | CHEMBL865 |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
13
Publications
4
Known Names
6
Indications
1
Mechanisms
Molecular Properties
370.4
MW (Da)
3.53
ALogP
5
HBA
1
HBD
89.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2002 |
| Availability | Unknown |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Cyclooxygenase-2 inhibitor | INHIBITOR | Prostaglandin G/H synthase 2 | ✓ | ✓ |
Indications
Pain, Postoperative Rheumatic Diseases Pain Renal Colic Rib Fractures Shoulder Pain
ATC Classification
M01AH04
parecoxib
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Nuclear receptor subfamily 4 group A member 2 CHEMBL5002 | IC50 | 4.87 | 4.87 | 13400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.25 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of recombinant human COX2 expressed in baculovirus infected Sf9 insec... | 30359818 |
| Nuclear receptor subfamily 4 group A member 2 | IC50 | = | 13400.0 | nM | 4.87 | Inverse agonist activity at Gal4-fused Nurr1 (unknown origin) | 35797147 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 30108944 | 10.1039/C7MD00575J | No relevant target | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 35797147 | 10.1021/acs.jmedchem.2c00585 | Nuclear receptor subfamily 4 group A member 2 | 2 |
| 21983446 | 10.1016/j.bmcl.2011.09.071 | No relevant target | 1 |
| 28252961 | 10.1021/acs.jmedchem.6b01287 | Rattus norvegicus | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| 30359818 | 10.1016/j.ejmech.2018.10.020 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine