General
Preferred name
(R)-Ibuprofen
Synonyms
(R)-(-)-Ibuprofen ()
(R)-IBUPROPHEN ()
Ibuprofen ()
P&D ID
PD012175
CAS
51146-57-7
Tags
drug candidate
natural product
available
Drug Status
investigational
Max Phase
Phase 1
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
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)
Pathway
NF-¦ÊB
NF-??
NF-κB
Disease Area
neurology/psychiatry, rheumatology, otolaryngology, obstetrics/gynecology, endocrinology, dental
Indication
patent ductus arteriosus (PDA)
headache, muscle pain, rheumatoid arthritis, backache, common cold, menstrual pain, fever, toothache
MOA
cyclooxygenase inhibitor
Source data
