General Information of the Compound
Compound ID
CP0054707
Compound Name
(+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid
    Show/Hide
Synonyms
(+-)-2-(2-Fluoro-4-biphenylyl)propionic acid
(+-)-2-Fluoro-alpha-methyl-4-biphenylacetic acid
(+/-)-2-Fluoro-alpha-methyl-4-biphenylacetic acid
(+/-)-2-Fluoro-alpha-methyl[1,1&prime
(1)-2-Fluoro-alpha-methyl(1,1'-biphenyl)-4-acetic acid
-biphenyl]-4-acetic Acid
2-(2-Fluorobiphenyl-4-yl)propionic Acid
2-(2-fluoro-[1,1'-biphenyl-4-yl])propanoic acid
2-(2-fluorobiphenyl-4-yl)propanoic acid
2-(3-fluoro-4-phenylphenyl)propanoic acid
2-Fluoro-alpha-methyl-(1,1'-biphenyl)-4-acetic acid
2-Fluoro-alpha-methyl-4-biphenylacetic acid
3-Fluoro-4-phenylhydratropic acid
Adfeed
Adofeed
Anmetarin
Ansaid
Ansaid (TN)
Anside
Antadys
Apo-Flurbiprofen
BTS 18322
BTS-18322
Cebutid
F0371
FLP
FLURBIPROFEN SODIUM
FP 70
Flubiprofen
Flugalin
Flurbiprofen
Flurbiprofen (JP15/USP/INN)
Flurbiprofen [USAN:INN:BAN:JAN]
Flurbiprofene
Flurbiprofene [INN-French]
Flurbiprofeno
Flurbiprofeno [INN-Spanish]
Flurbiprofenum
Flurbiprofenum [INN-Latin]
Fluriproben
Flurofen
Froben
Froben (TN)
Froben Sr
IN1332
L-790,330
MKS-11
Novo-Flurprofen
Nu-Flurbiprofen
Ocufen
Ocuflur
Stayban
U 27,182
U 27182
U-27182
Yakuban
Zepolas
[+/-]-2-Fluoro-alpha-methyl-4-biphenylacetic acid
    Show/Hide
Structure
Formula
C15H13FO2
Molecular Weight
244.265
Canonical SMILES
CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
    Show/Hide
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)
    Show/Hide
InChIKey
SYTBZMRGLBWNTM-UHFFFAOYSA-N
CAS
5104-49-4
Physicochemical Property
logP
3.6808
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
37.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
18

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 3394
SID: 14823266
ChEMBL ID
CHEMBL563
DrugBank ID
DB00712
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00901, Prostaglandin G/H synthase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 359 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10 nM
2 IC50 = 1060 nM
3 IC50 = 1995.26 nM
Protein ID: PT04064, Solute carrier family 22 member 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1500 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Flurbiprofen )
Drug Name Flurbiprofen
Company Abbott Laboratories
Indication
Rheumatoid arthritis
Approved
Target(s)
Prostaglandin G/H synthase 2 (COX-2)
Modulator