IBUPROFEN LYSINE

Search structure
Synonyms:
Status: Approved (2006)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: N01ORX9D6S

Structure
InChI Key IHHXIUAEPKVVII-ZSCHJXSPSA-N
Smile CC(C)Cc1ccc(C(C)C(=O)O)cc1.NCCCC[C@H](N)C(=O)O
InChI
InChI=1S/C13H18O2.C6H14N2O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;7-4-2-1-3-5(8)6(9)10/h4-7,9-10H,8H2,1-3H3,(H,14,15);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H32N2O4
Molecular Weight 352.48
AlogP 3.07
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 4.996
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -2.02-15.48

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEMBL CHEMBL1201141
FDA SRS N01ORX9D6S
PubChem 9841440
SureChEMBL SCHEMBL44617
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