General Information of the Compound
Compound ID
CP0341579
Compound Name
6-((3-fluoro-5-(4-methoxytetrahydro-2H-pyran-4-yl)phenoxy)methyl)-1-methylquinolin-2(1H)-one
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Synonyms
140841-32-3
2(1H)-Quinolinone,6-[[3-fluoro-5-(tetrahydro-4-methoxy-2H-pyran-4-yl)phenoxy]methyl]-1-methyl-
6-((3-Fluoro-5-(4-methoxy-3,4,5,6-tetrahydro-2H-pyran-4-yl)phenoxy)methyl)-1-methylquinol-2-one
6-((3-fluoro-5-(4-methoxytetrahydro-2H-pyran-4-yl)phenoxy)methyl)-1-methylquinolin-2(1H)-one
AC1L30RD
ACMC-20mzth
ACN-048395
AKOS025404954
B6G6OX1ZH5
BDBM50000829
CHEMBL20403
CTK4C2357
DTXSID90161477
Ici D2138
Ici-D2138
SCHEMBL1083603
UNII-B6G6OX1ZH5
ZD 2138
ZD-2138
zd2138
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Structure
Formula
C23H24FNO4
Molecular Weight
397.446
Canonical SMILES
COC1(CCOCC1)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
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InChI
InChI=1S/C23H24FNO4/c1-25-21-5-3-16(11-17(21)4-6-22(25)26)15-29-20-13-18(12-19(24)14-20)23(27-2)7-9-28-10-8-23/h3-6,11-14H,7-10,15H2,1-2H3
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InChIKey
SLZBEPLWGGRZAY-UHFFFAOYSA-N
CAS
140841-32-3
Physicochemical Property
logP
3.9087
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
49.69
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 132306
SID: 14878940
ChEMBL ID
CHEMBL20403
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: PT00940, Prostaglandin G/H synthase 1
 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
IC50 > 100000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00901, Prostaglandin G/H synthase 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
IC50 > 100000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( ZD-2138 )
Drug Name ZD-2138
Indication
Asthma
Discontinued in Phase 2
Target(s)
LOX-5 messenger RNA (ALOX5 mRNA)
 Target Info 
Inhibitor