General
Preferred name
ROFECOXIB
Synonyms
MK 966 ()
MK-0966 ()
Rofecoxib (Vioxx) ()
ROFECOXIB162011-90-7 ()
TRM-201 ()
M01AH02 ()
NSC-720256 ()
MK0966 ()
Vioxx ()
MK-966 ()
TRM201 ()
NSC-758705 ()
Rofecoxib-d5 ()
P&D ID
PD002879
CAS
162011-90-7
544684-93-7
Tags
available
drug
Approved by
FDA
First approval
1999
Drug indication
Osteoarthritis
osteoarthritis, knee
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withdrawn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
Rofecoxib is a non-steroidal anti-inflammatory (NSAID) drug.
(GtoPdb)
DESCRIPTION
Rofecoxib is a potent, specific and orally active COX-2 inhibitor, with IC50s of 26 and 18 nM for human COX-2 in human osteosarcoma cells and Chinese hamster ovary cells, with a 1000-fold selectivity for COX-2 over human COX-1 (IC50 > 50 ¦ÌM in U937 cells and > 15 ¦ÌM in Chinese hamster ovary cells).
PRICE
29
DESCRIPTION
Rofecoxib is a selective cyclooxygenase-2 inhibitor, a nonsteroidal anti-inflammatory drug. It is used for the treatment of osteoarthritis, rheumatoid arthritis, acute pain in adults, and primary dysmenorrhea, as well as acute treatment of migraine attacks with or without auras.
(Enamine Bioactive Compounds)
DESCRIPTION
Rofecoxib (MK 966) binds to and inhibits the enzyme cyclooxygenase-2 (COX-2), resulting in an inhibition of the conversion of arachidonic acid to prostaglandins. Rofecoxib is a synthetic, nonsteroidal derivative of phenyl-furanone with anti-inflammatory, antipyretic and analgesic properties and potential antineoplastic properties. COX-related metabolic pathways may represent key regulators of cell proliferation and neo-angiogenesis. Some epithelial tumor cell types overexpress pro-angiogenic COX-2.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
31
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
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
DrugMatrix
Enamine Bioactive Compounds
Guide to Pharmacology
Ki Database
LSP-MoA library (Laboratory of Systems Pharmacology)
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
NIH Clinical Collections (NCC)
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
Withdrawn 2.0
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
51
Molecular Weight
314.06
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
2
cLogP
2.56
TPSA
60.44
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.82
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
COX
COX-2
ELN, PTGS2
COX-2 inhibitor
Member status
member
MOA
cyclooxygenase inhibitor
ATC
M01AH02
Toxicity type
cardiovascular
Therapeutic Class
Antiinflammatory Agents
Pathway
Immunology/Inflammation
Neuroscience
Source data
