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Compound Detail

CHEMBL296913

PARECOXIB SODIUM
💊 Approved Drug
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💊 Approved Drug
CCC(=O)[N-]S(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL296913
Name PARECOXIB SODIUM
Phase Approved
Structure Type MOL
InChI Key HQPVVKXJNZEAFW-UHFFFAOYSA-M
Therapeutic ✓ Yes
Parent Compound CHEMBL1206690
Active Moiety CHEMBL865

Known Names

Dynastat Parecoxib sodium Parecoxib sodium salt SC-69124A
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
20
Publications
4
Known Names
2
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

Flags

Prodrug
USAN Stem -coxib
USAN Year 1998

Extended Properties

Molecular Formula C19H17N2NaO4S
MW 392.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.18

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Cyclooxygenase-2 inhibitor INHIBITOR Prostaglandin G/H synthase 2 ✓ ✓

Indications

Pain, Postoperative Osteoarthritis

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.135 hr Rattus norvegicus
T1/2 0.553 hr Canis lupus familiaris
T1/2 1.21 hr Macaca fascicularis

Literature References

PubMed DOI Target Context # Activities
35339101 10.1016/j.ejmech.2022.114258 Mus musculus 10
10794682 10.1021/jm000069h Rattus norvegicus 4
16806914 10.1016/j.bmcl.2006.06.032 Rattus norvegicus 3
12954051 10.1021/jm020563g Rattus norvegicus 2
16806914 10.1016/j.bmcl.2006.06.032 Cyclooxygenase 1
35339101 10.1016/j.ejmech.2022.114258 No relevant target 1
- 10.6019/CHEMBL4513141 Staphylococcus aureus 1
- 10.6019/CHEMBL4513141 Acinetobacter baumannii 1
- 10.6019/CHEMBL4513141 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4513141 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513141 Escherichia coli 1
- 10.6019/CHEMBL4513141 Cryptococcus neoformans 1
- 10.6019/CHEMBL4513141 Candida albicans 1
16806914 10.1016/j.bmcl.2006.06.032 Prostaglandin G/H synthase 2 1
16806914 10.1016/j.bmcl.2006.06.032 Prostaglandin G/H synthase 1 1
16730986 10.1016/j.bmcl.2006.05.028 Prostaglandin G/H synthase 2 1
16730986 10.1016/j.bmcl.2006.05.028 Prostaglandin G/H synthase 1 1
16730986 10.1016/j.bmcl.2006.05.028 Rattus norvegicus 1
15481993 10.1021/jm040844j Prostaglandin G/H synthase 2 1
10794682 10.1021/jm000069h Cynomolgus monkey 1

Data from ChEMBL 36 via Core Engine