General
Preferred name
VALDECOXIB
Synonyms
SC 65872()
SC-65872()
Bextra()
NSC-759846()
Valdyn()
Valdecoxib-d3()
P&D ID
PD002956
CAS
181695-72-7
1219794-90-7
Tags
available
drug
Approved by
FDA
First approval
2001
Drug indication
Osteoarthritis
Drug Status
approved
withdrawn
investigational
Max Phase
4.0
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Valdecoxib is a non-steroidal anti-inflammatory drug (NSAID). (GtoPdb)
DESCRIPTION inhibitor of cyclooxygenase-2 (COX2) (Informer Set)
DESCRIPTION Inhibits eIF4F subunit interaction; inhibits protein translation (Tocris Bioactive Compound Library)
DESCRIPTION Selective and potent COX-2 inhibitor (Tocriscreen Plus)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
35
AdooQ Bioactive Compound Library
Axon Medchem Screening Library
ChEMBL Approved Drugs
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
Informer Set
Ki Database
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
NIH Clinical Collections (NCC)
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Pandemic Response Box
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
Tocriscreen Plus
Withdrawn 2.0
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
48
Molecular Weight
314.07
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
3
cLogP
2.96
TPSA
86.19
Fraction CSP3
0.06
Chiral centers
0.0
Largest ring
6.0
QED
0.8
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
PTGS2 COX-2 CA12, PTGS2 COX-2 inhibitor COX Endogenous Metabolite
Compound status
FDA
Target Type
Enzymes
Pathway
Immunology/Inflammation Neuroscience Metabolic Enzyme/Protease
Primary Target
Cyclooxygenases
MOA
Inhibitor Cyclooxygenase-2 Inhibitors Non-Steroidal Antiinflammatory Drugs cyclooxygenase inhibitor
Member status
member
ATC
M01AH03
Toxicity type
cardiovascular
Therapeutic Class
Antiinflammatory Agents
Source data
