General Information of the Compound
Compound ID
CP0166045
Compound Name
(R)-4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
    Show/Hide
Synonyms
(R)-4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
162542-90-7
4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
4-[(2R)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine
4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-ethyl]-pyridine
AC1L2SW5
BDBM50064858
CDP840
CHEMBL32442
Cdp 840
Cdp-840
GTPL9330
PDSP1_001288
PDSP2_001272
Pyridine, 4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)-, (R)-
SCHEMBL84490
UTUUPXBCDMQYRR-HSZRJFAPSA-N
ZINC599006
    Show/Hide
Structure
Formula
C25H27NO2
Molecular Weight
373.496
Canonical SMILES
COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1
    Show/Hide
InChIKey
UTUUPXBCDMQYRR-HSZRJFAPSA-N
CAS
162542-90-7
Physicochemical Property
logP
5.7862
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
31.35
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 127928
SID: 14853218
ChEMBL ID
CHEMBL32442
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: PT01479, 3',5'-cyclic-AMP phosphodiesterase 4A
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  4
1
IC50 = 4.2 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 4.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
IC50 = 10000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
4
Ki = 4 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2.1 nM
2 IC50 = 4 nM
3 IC50 = 4.2 nM
Clinical Information about the Compound
Drug 1 ( CDP840 )
Drug Name CDP840
Indication
Chronic obstructive pulmonary disease
Discontinued in Phase 2
Target(s)
Phosphodiesterase 4B (PDE4B)
 Target Info 
Inhibitor
Phosphodiesterase 4A (PDE4A)
 Target Info 
Inhibitor
Phosphodiesterase 4D (PDE4D)
 Target Info 
Inhibitor