General Information of the Compound
Compound ID
CP0315423
Compound Name
2-(4-chloro-2-cyclohexylphenoxy)acetic acid
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Synonyms
(4-chloro-2-cyclohexylphenoxy)acetic acid
19774-97-1
2-(4-chloro-2-cyclohexylphenoxy)acetic acid
4-chloro-2-cyclohexylphenoxy-acetic acid
AC1L5KDG
AC1Q3LV0
AC1Q7647
AKOS000132678
AS-9826
BDBM50213909
CHEMBL245908
CTK7J5481
DTXSID10282496
HMS3089F12
MCULE-7136939287
MLS002639096
MolPort-004-296-406
NE44164
NSC-26127
NSC26127
SCHEMBL4888054
SMR001548547
ZINC1628222
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Structure
Formula
C14H17ClO3
Molecular Weight
268.74
Canonical SMILES
OC(=O)COc1ccc(Cl)cc1C1CCCCC1
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InChI
InChI=1S/C14H17ClO3/c15-11-6-7-13(18-9-14(16)17)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17)
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InChIKey
OGVODSDQXYUSDP-UHFFFAOYSA-N
CAS
19774-97-1
Physicochemical Property
logP
3.8511
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
46.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 230826
ChEMBL ID
CHEMBL245908
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 = 154 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(4-chloro-2-cyclohexylphenoxy)acetic acid )
Drug Name 2-(4-chloro-2-cyclohexylphenoxy)acetic acid
Target(s)
Prostaglandin D2 receptor 2 (PTGDR2)
Inhibitor