General Information of the Compound
Compound ID
CP0112318
Compound Name
2-(4-chlorophenoxy)-2-methylpropanoic acid
    Show/Hide
Synonyms
2-(4-CHLOROPHENOXY)-2-METHYLPROPIONIC ACID
2-(4-Chlorophenoxy)-2-methylpropanoic acid
2-(4-Chlorophenoxy)isobutyric Acid
2-(p-Chlorophenoxy)-2-methylpropionic acid
2-(p-Chlorophenoxy)isobutyric acid
4-CPIB
882-09-7
Acide clofibrique
Acido clofibrico
Acidum c
Chlorfibrinic acid
Chlorofibrinic acid
Chlorophibrinic acid
Clofibrate free acid
Clofibrin
Clofibrinic acid
Clofibrinsaeure
Fibrates
PCIB
PCPIB
Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-
Regadrin
Regulipid
alpha-(p-Chlorophenoxy)isobutyric acid
clofibric acid
    Show/Hide
Structure
Formula
C10H11ClO3
Molecular Weight
214.648
Canonical SMILES
CC(C)(Oc1ccc(Cl)cc1)C(O)=O
    Show/Hide
InChI
InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
    Show/Hide
InChIKey
TXCGAZHTZHNUAI-UHFFFAOYSA-N
CAS
882-09-7
Physicochemical Property
logP
2.582
Rotatable Bonds
3
Heavy Atom Count
14
Polar Areas
46.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 2797
SID: 15390199
ChEMBL ID
CHEMBL683
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
CL000063 Hep-G2 Homo sapiens (Human)  2
1
EC50 = 39600 nM
   TI
   LI
   LO
   TS
2
EC50 = 50000 nM
   TI
   LI
   LO
   TS
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 55000 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 55000 nM
   TI
   LI
   LO
   TS
CL000050 HEK293-A Homo sapiens (Human)  1
1
EC50 = 55000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 50000 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)  2
1
EC50 = 50000 nM
   TI
   LI
   LO
   TS
2
EC50 = 51000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 42 nM
Clinical Information about the Compound
Drug 1 ( Fibrates )
Drug Name Fibrates
Indication
Dyslipidemia
Investigative
Target(s)
Peroxisome proliferator-activated receptor alpha (PPARA)
Agonist