General Information of the Compound
Compound ID
CP0157437
Compound Name
2-(2-cyclohexylphenoxy)acetic acid
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Synonyms
2-(2-cyclohexylphenoxy)acetic acid
82506-00-1
AC1L85O4
BDBM50213918
CHEMBL247739
DTXSID50323877
NSC405039
SCHEMBL4883839
ZINC1597753
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Structure
Formula
C14H18O3
Molecular Weight
234.295
Canonical SMILES
OC(=O)COc1ccccc1C1CCCCC1
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InChI
InChI=1S/C14H18O3/c15-14(16)10-17-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,15,16)
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InChIKey
SIYNBMWECIIUOX-UHFFFAOYSA-N
CAS
82506-00-1
Physicochemical Property
logP
3.1977
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).

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PubChem ID
CID: 346737
ChEMBL ID
CHEMBL247739
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 311 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(2-cyclohexylphenoxy)acetic acid )
Drug Name 2-(2-cyclohexylphenoxy)acetic acid
Target(s)
Prostaglandin D2 receptor 2 (PTGDR2)
 Target Info 
Inhibitor