General
Preferred name
ROFECOXIB
Synonyms
MK 966 ()
MK-0966 ()
Rofecoxib (Vioxx) ()
ROFECOXIB162011-90-7 ()
NSC-720256 ()
TRM201 ()
NSC-758705 ()
MK-966 ()
TRM-201 ()
Vioxx ()
MK0966 ()
M01AH02 ()
Rofecoxib-d5 ()
P&D ID
PD002879
CAS
162011-90-7
544684-93-7
Tags
natural product
drug
available
Approved by
FDA
First approval
1999
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withdrawn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 Rofecoxib is a non-steroidal anti-inflammatory (NSAID) drug. (GtoPdb)
Compound Sets
30
AdooQ Bioactive Compound Library
A11918
Axon Medchem Screening Library
3376
Cayman Chemical Bioactives
10010260
28900
ChEMBL Approved Drugs
CHEMBL122
ChEMBL Drugs
CHEMBL122
Concise Guide to Pharmacology 2017/18
2893
Concise Guide to Pharmacology 2019/20
2893
Concise Guide to Pharmacology 2021/22
2893
Concise Guide to Pharmacology 2023/24
2893
Drug Repurposing Hub
DrugBank
DB00533
DrugBank Approved Drugs
DB00533
DrugCentral
2397
DrugCentral Approved Drugs
2397
DrugMAP
DM3P5DA
DrugMAP Approved Drugs
DM3P5DA
DrugMatrix
Guide to Pharmacology
2893
Ki Database
ROFECOXIB
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL122
Mcule NIBR MoA Box Subset
MCULE-4806636118
MedChem Express Bioactive Compound Library
HY-17372
NIH Clinical Collections (NCC)
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
rofecoxib-vioxx
TargetMol Bioactive Compound Library
T1185
Withdrawn 2.0
w127
External IDs
48
Properties
(calculated by RDKit )
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)
Pathway
Immunology/Inflammation
Neuroscience
Target
COX-2
ELN, PTGS2
COX-2 inhibitor
COX
Member status
member
MOA
cyclooxygenase inhibitor
ATC
M01AH02
Toxicity type
cardiovascular
Therapeutic Class
Antiinflammatory Agents
Source data