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Compound Detail

CHEMBL2103831

NAPROXCINOD
🧪 Phase III
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🧪 Phase III
COc1ccc2cc([C@H](C)C(=O)OCCCCO[N+](=O)[O-])ccc2c1

Basic Information

ChEMBL ID CHEMBL2103831
Name NAPROXCINOD
Phase Phase III
Structure Type MOL
InChI Key AKFJWRDCWYYTIG-ZDUSSCGKSA-N

Known Names

AR-P900758XX AZD-3582 AZD3582 HCT 3012 HCT-3012 HCT3012 Naproxcinod Naproxen-n-butyl nitrate Nitronaproxen
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
9
Known Names
5
Indications
1
Mechanisms

Molecular Properties

347.4
MW (Da)
3.48
ALogP
6
HBA
0
HBD
87.9
PSA (Ų)
0.30
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -nod
USAN Year 2008

Extended Properties

Molecular Formula C18H21NO6
MW 347.37
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.32

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Cyclooxygenase inhibitor INHIBITOR Cyclooxygenase

Indications

Osteoarthritis Osteoarthritis, Hip Rheumatic Diseases Liver Diseases Renal Insufficiency

ATC Classification

M01AE18
naproxcinod
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS

Activity Summary

IC50 2 meas. best 6.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thoracic aorta
CHEMBL2367449
IC50 6.33 6.33 467.7 1
Molecular identity unknown
CHEMBL612546
IC50 5.28 5.28 5248.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24373735 10.1016/j.bmc.2013.12.008 Liver 6
24373735 10.1016/j.bmc.2013.12.008 Thoracic aorta 3
33168231 10.1016/j.ejmech.2020.112983 Liver 2

Data from ChEMBL 36 via Core Engine