General
Preferred name
DEXIBUPROFEN
Synonyms
(S)-(+)-Ibuprofen ()
S(+)-Ibuprofen ()
(S)-Ibuprofen ()
S-(+)-ibuprofen ()
(S)-(+)-Ibuprofen(S)-Ibuprofen ()
NSC-759814 ()
Rufen ()
NeoProfen ()
S-ibuprofen ()
Ibu-Tab ()
Seractil ()
P&D ID
PD001306
CAS
51146-56-6
113403-10-4
Tags
natural product
drug
available
Drug Status
investigational
approved
Drug indication
Analgesic
Ankylosing spondylitis
Anti-Inflammatory
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 Active enantiomer of Ibuprofen; NSAID (LOPAC library)
DESCRIPTION Cyclooxygenase inhibitor (COX-1 > COX-2) (Tocriscreen Plus)
DESCRIPTION PI 3-kinase inhibitor, more potent than LY 294002 (Cat. No. 1130) (Tocris Bioactive Compound Library)
Cell lines
0
Organisms
1
Compound Sets
19
Cayman Chemical Bioactives
16793
ChEMBL Approved Drugs
CHEMBL175
ChEMBL Drugs
CHEMBL175
Drug Repurposing Hub
DrugBank
DB09213
DrugBank Approved Drugs
DB09213
DrugCentral
3851
DrugCentral Approved Drugs
3851
DrugMAP
DMFYBD0
DrugMAP Approved Drugs
DMFYBD0
Enamine BioReference Compounds
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL175
MedChem Express Bioactive Compound Library
HY-78131A
Novartis Chemogenetic Library (NIBR MoA Box)
Prestwick Chemical Library
TargetMol Bioactive Compound Library
T0448
Tocris Bioactive Compound Library
2796
Tocriscreen Plus
2796
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
206.13
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
1
cLogP
3.07
TPSA
37.3
Fraction CSP3
0.46
Chiral centers
1.0
Largest ring
6.0
QED
0.82
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
Enzymes
Selectivity
COX
Pathway
Apoptosis
Immunology/Inflammation
Metabolism
DNA Damage/DNA Repair
Proteases/Proteasome
Neuroscience
Target
Bcl-2
Cystic fibrosis transmembrane conductance regulator
PPAR??
Thrombomodulin
ASIC1, PTGS1, PTGS2, SLC5A8
Primary Target
Cyclooxygenases
MOA
BCL antagonist
Inhibitor
Cyclooxygenase (COX) Inhibitors
Non-Steroidal Antiinflammatory Drugs
cyclooxygenase inhibitor
Member status
virtual
Indication
pain relief
Source data