General Information of the Compound
Compound ID
CP0042877
Compound Name
2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic acid
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Synonyms
2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid
2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropionic Acid
2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid
2-{4-[(4-chlorophenyl)carbonyl]phenoxy}-2-methylpropanoic acid
42017-89-0
AK117112
BGF9MN2HU1
BRN 2058973
C17H15ClO4
CCRIS 7302
CHEBI:83469
CHEMBL981
EINECS 255-626-9
FENOFIBRIC ACID
FNF Acid
Fenofibric acid
LF 153
LF 178 acid
NSC 281318
Procetofenic acid
Propanoic acid, 2-(4-(4-chlorobenzoyl)phenoxy)-2-methyl-
Trilipix
UNII-BGF9MN2HU1
W-106287
alpha 1081
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Structure
Formula
C17H15ClO4
Molecular Weight
318.756
Canonical SMILES
CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
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InChI
InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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InChIKey
MQOBSOSZFYZQOK-UHFFFAOYSA-N
CAS
42017-89-0
Physicochemical Property
logP
3.813
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
63.6
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 64929
SID: 15988368
ChEMBL ID
CHEMBL981
DrugBank ID
DB13873
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: PT00910, Peroxisome proliferator-activated receptor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  3
1
EC50 = 2646 nM
   TI
   LI
   LO
   TS
2
EC50 = 30000 nM
   TI
   LI
   LO
   TS
3
EC50 > 100000 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 12000 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 12000 nM
   TI
   LI
   LO
   TS
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 30000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 4500 nM
2 EC50 = 15000 nM
3 EC50 = 30000 nM
4 EC50 = 32050 nM
5 EC50 > 10000 nM
6 IC50 = 24000 nM
7 IC50 = 35000 nM
8 IC50 = 68000 nM
9 IC50 > 10000 nM
10 Ki = 35000 nM
Protein ID: PT01919, Peroxisome proliferator-activated receptor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 18000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  2
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
2
EC50 = 100000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 > 100000 nM
2 IC50 > 10000 nM
3 IC50 > 25000 nM
4 IC50 > 50000 nM
Clinical Information about the Compound
Drug 1 ( FENOFIBRIC ACID )
Drug Name FENOFIBRIC ACID
Indication
Cardiovascular disease
Approved
Target(s)
Fatty acid-binding protein 1 (FABP1)
Inhibitor