Details of the Drug

General Information of Drug (ID: DMFIVSR)

Drug Name
R-flurbiprofen
Synonyms
Tarenflurbil; (R)-Flurbiprofen; 51543-40-9; Flurizan; R-Flurbiprofen; (R)-2-Flurbiprofen; (R)-2-Flubiprofen; MPC-7869; UNII-501W00OOWA; R-(-)-Flurbiprofen; (2r)-2-(3-Fluoro-4-Phenyl-Phenyl)propanoic Acid; (-)-(2R)-2-(2-fluorobiphenyl-4-yl)propanoic acid; (R)-(-)-2-Fluoro-alpha-methyl-4-biphenylacetic acid; (R)-2-Fluoro-alpha-methyl(1,1'-biphenyl)-4-acetic acid; (2R)-2-(2-fluorobiphenyl-4-yl)propanoic acid; (2R)-2-(3-fluoro-4-phenylphenyl)propanoic acid; CHEMBL190083; 501W00OOWA; CHEBI:38666; E-7869
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 244.26
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C15H13FO2
IUPAC Name
(2R)-2-(3-fluoro-4-phenylphenyl)propanoic acid
Canonical SMILES
C[C@H](C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O
InChI
InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1
InChIKey
SYTBZMRGLBWNTM-SNVBAGLBSA-N
Cross-matching ID
PubChem CID
92337
ChEBI ID
CHEBI:38666
CAS Number
51543-40-9
UNII
501W00OOWA
DrugBank ID
DB05289
TTD ID
D05FGR

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Beta-secretase (BACE) TT8JRS7 NOUNIPROTAC Inhibitor [1]
Gamma-secretase (GS) TT9W8GU APH1A_HUMAN ; APH1B_HUMAN ; PEN2_HUMAN ; NICA_HUMAN ; PSN1_HUMAN Inhibitor [1]
Presenilin 1 (PSEN1) TTZ3S8C PSN1_HUMAN Inhibitor [1]
Presenilin 2 (PSEN2) TTWN3F4 PSN2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Gamma-secretase (GS) DTT APH1A; APH1B; NCSTN; PSENEN; PSEN1 1.47E-02 -0.09 -0.37
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The geminal dimethyl analogue of Flurbiprofen as a novel Abeta42 inhibitor and potential Alzheimer's disease modifying agent. Bioorg Med Chem Lett. 2006 Apr 15;16(8):2219-23.