General Information of the Compound
Compound ID
CP0201721
Compound Name
2-(4-chloro-2-cyclopentylphenoxy)acetic acid
    Show/Hide
Synonyms
2-(4-chloro-2-cyclopentylphenoxy)acetic acid
CHEMBL397842
SCHEMBL4879219
    Show/Hide
Structure
Formula
C13H15ClO3
Molecular Weight
254.713
Canonical SMILES
OC(=O)COc1ccc(Cl)cc1C1CCCC1
    Show/Hide
InChI
InChI=1S/C13H15ClO3/c14-10-5-6-12(17-8-13(15)16)11(7-10)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,15,16)
    Show/Hide
InChIKey
GOFMJZFPLZWDOU-UHFFFAOYSA-N
Physicochemical Property
logP
3.461
Rotatable Bonds
4
Heavy Atom Count
17
Polar Areas
46.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 44441193
ChEMBL ID
CHEMBL397842
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: PT01171, Prostaglandin D2 receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 150 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(4-chloro-2-cyclopentylphenoxy)acetic acid )
Drug Name 2-(4-chloro-2-cyclopentylphenoxy)acetic acid
Target(s)
Prostaglandin D2 receptor 2 (PTGDR2)
Inhibitor