General Information of the Compound
Compound ID
CP0041181
Compound Name
2-(3-Benzoylphenyl)propionic acid
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Synonyms
(+-)-m-Benzoylhydratropic acid
2-(3-Benzoylphenyl)propanoic acid
2-(3-Benzoylphenyl)propionic acid
2-(m-Benzoylphenyl)propionic acid
2-[3-(benzoyl)phenyl]propanoic acid
2-[3-(phenylcarbonyl)phenyl]propanoic acid
2-[3-Benzoylphenyl]propionic acid
3-Benzoylhydratropic acid
Acide (benzoyl-3-phenyl)-2-propionique
Acide (benzoyl-3-phenyl)-2-propionique [French]
Actron
Alrheumat
Alrheumum
Alrheumun
Aneol
Arthril (TN)
Benzoylhydratropic Acid
Bi-Profnid (TN)
Capisten
Dexal
Epatec
Fastum
Fastum (TN)
Fastum Gel (TN)
Iso-K
K 1751
Kefenid
Keto (TN)
Ketoflam (TN)
Ketomex (TN)
Ketonal (TN)
Ketoprofen
Ketoprofen (JP15/USP/INN)
Ketoprofen [USAN:INN:BAN:JAN]
Ketoprofenas (TN)
Ketoprofene
Ketoprofene (TN)
Ketoprofene [INN-French]
Ketoprofeno
Ketoprofeno [INN-Spanish]
Ketoprofenum
Ketoprofenum (TN)
Ketoprofenum [INN-Latin]
Ketopron
Ketoprophene
Ketorin (TN)
Ketospray (TN)
L'Acide (benzoyl-3-phenyl)-2-propionique
Lasonil (TN)
Lertus
M-Benzoylhydratropic acid
Menamin
Meprofen
Oki (TN)
Orudis
Orudis (TN)
Orudis KT
Orudis, Oruvail, Ketoflam, Orudis KT, Ketoprofen
Orugesic
Oruvail
Oruvail (TN)
Oscorel
Profenid
RP 19583
RP, 19,583
RP-19583
RP19583
RU 4733
Racemic-Ketoprofen
Toprec
Toprek
Zon (TN)
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Structure
Formula
C16H14O3
Molecular Weight
254.285
Canonical SMILES
CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
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InChI
InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
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InChIKey
DKYWVDODHFEZIM-UHFFFAOYSA-N
CAS
172964-50-0
22161-86-0
22071-15-4
Physicochemical Property
logP
3.1057
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
54.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
19

"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).

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PubChem ID
CID: 3825
SID: 15122326
ChEMBL ID
CHEMBL571
DrugBank ID
DB01009
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: PT01062, Prostaglandin G/H synthase 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000014 RAW 264.7
 Cell Line Info 
Mus musculus (Mouse)  2
1
Activity = 0.058595 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Activity = 0.456565 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00901, Prostaglandin G/H synthase 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 785 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 61 nM
Protein ID: PT04064, Solute carrier family 22 member 6
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
IC50 = 1300 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 1400 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06206, Solute carrier family 22 member 7
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1
 Cell Line Info 
Sus scrofa (Pig)  1
1
Ki = 1840 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Ketoprofen )
Drug Name Ketoprofen
Company ProEthic Pharmaceuticals
Indication
Musculoskeletal pain
Approved
Pain
Phase 3
Migraine
Phase 2
Pain
Phase 1
Osteoarthritis
Phase 1
Target(s)
Prostaglandin G/H synthase 2 (COX-2)
 Target Info 
Inhibitor