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
CHEMBL190083
CAS Number
51543-40-9
UNII
501W00OOWA
DrugBank ID
DB05289
TTD ID
D05FGR
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.