General
Preferred name
VALDECOXIB
Synonyms
SC 65872 ()
SC-65872 ()
Valdyn ()
Bextra ()
NSC-759846 ()
Valdecoxib-d3 ()
P&D ID
PD002956
CAS
181695-72-7
1219794-90-7
Tags
natural product
drug
available
Approved by
FDA
First approval
2001
Drug Status
investigational
approved
withdrawn
Drug indication
Osteoarthritis
Max Phase
Phase 4
Structure
Probe scores
P&D probe-likeness score
[[ v.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)
Cell lines
0
Organisms
3
Compound Sets
34
AdooQ Bioactive Compound Library
A13342
Axon Medchem Screening Library
2106
Cayman Chemical Bioactives
10006120
28699
ChEMBL Approved Drugs
CHEMBL865
ChEMBL Drugs
CHEMBL865
Concise Guide to Pharmacology 2017/18
2894
Concise Guide to Pharmacology 2019/20
2894
Concise Guide to Pharmacology 2021/22
2894
Concise Guide to Pharmacology 2023/24
2894
Drug Repurposing Hub
DrugBank
DB00580
DrugBank Approved Drugs
DB00580
DrugCentral
2799
DrugCentral Approved Drugs
2799
DrugMAP
DMAY7H4
DrugMAP Approved Drugs
DMAY7H4
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
EOS101622
Guide to Pharmacology
2894
Informer Set
32372
Ki Database
VALDECOXIB
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL865
MedChem Express Bioactive Compound Library
HY-15762
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
valdecoxib
TargetMol Bioactive Compound Library
T0219
Tocris Bioactive Compound Library
4206
Tocriscreen Plus
4206
Withdrawn 2.0
w84
External IDs
45
Properties
(calculated by RDKit )
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