General Information of the Compound
Compound ID
CP0569436
Compound Name
2-((4-(6-((4-Chloro-2-fluorobenzyl)oxy)pyridin-2-yl)piperidin-1-yl)methyl)-3-methyl-3H-imidazo[4,5-b]pyridine-5-carboxylic acid
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Structure
Formula
C26H25ClFN5O3
Molecular Weight
509.969
Canonical SMILES
Cn1c(CN2CCC(CC2)c2cccc(OCc3ccc(Cl)cc3F)n2)nc2ccc(nc12)C(O)=O
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InChI
InChI=1S/C26H25ClFN5O3/c1-32-23(29-21-7-8-22(26(34)35)31-25(21)32)14-33-11-9-16(10-12-33)20-3-2-4-24(30-20)36-15-17-5-6-18(27)13-19(17)28/h2-8,13,16H,9-12,14-15H2,1H3,(H,34,35)
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InChIKey
ZFDHZDONBOMVLZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.8126
Rotatable Bonds
7
Heavy Atom Count
36
Polar Areas
93.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
36

"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: 134611229
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: PT01356, Glucagon-like peptide 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
EC50 = 6.7 nM
   TI
   LI
   LO
   TS
2
EC50 = 95 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 2100 nM
   TI
   LI
   LO
   TS
CL001038 PathHunter CHO-K1 GLP1R beta-arrestin-2 Cricetulus griseus (Chinese hamster)  2
1
EC50 = 2800 nM
   TI
   LI
   LO
   TS
2
EC50 > 30000 nM
   TI
   LI
   LO
   TS