General Information of the Compound
Compound ID
CP0546975
Compound Name
(2R)-2-[2-[1-[(1R)-1-(2,6-dichloro-3-cyclopropylphenyl)ethyl]imidazo[4,5-c]pyridin-6-yl]phenyl]propanoic acid
    Show/Hide
Formula
C26H23Cl2N3O2
Molecular Weight
480.395
Canonical SMILES
C[C@@H](C(O)=O)c1ccccc1-c1cc2n(cnc2cn1)[C@H](C)c1c(Cl)ccc(C2CC2)c1Cl
    Show/Hide
InChI
InChI=1S/C26H23Cl2N3O2/c1-14(26(32)33)17-5-3-4-6-19(17)21-11-23-22(12-29-21)30-13-31(23)15(2)24-20(27)10-9-18(25(24)28)16-7-8-16/h3-6,9-16H,7-8H2,1-2H3,(H,32,33)/t14-,15-/m1/s1
    Show/Hide
InChIKey
JPJWHCNGSBCZMI-HUUCEWRRSA-N
Physicochemical Property
logP
7.0799
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
68.01
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
33

"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
ChEMBL ID
CHEMBL5183336
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
CL000006 HEK293 Homo sapiens (Human)  4
1
EC50 = 0.085 nM
   TI
   LI
   LO
   TS
2
EC50 = 7 nM
   TI
   LI
   LO
   TS
3
EC50 = 270 nM
   TI
   LI
   LO
   TS
4
EC50 = 1800 nM
   TI
   LI
   LO
   TS
CL000230 INS-1 832/13 Rattus norvegicus (Rat)  1
1
EC50 = 7 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 12 nM
   TI
   LI
   LO
   TS