General Information of the Compound
Compound ID
CP0523260
Compound Name
6-[(6-methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyrazine-2-carboxylic acid
    Show/Hide
Structure
Formula
C20H16N4O3
Molecular Weight
360.373
Canonical SMILES
COc1ccc2c(Cc3cncc(n3)C(O)=O)c(nn2c1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C20H16N4O3/c1-27-15-7-8-18-16(9-14-10-21-11-17(22-14)20(25)26)19(23-24(18)12-15)13-5-3-2-4-6-13/h2-8,10-12H,9H2,1H3,(H,25,26)
    Show/Hide
InChIKey
OVLDKUXVQHVONU-UHFFFAOYSA-N
Physicochemical Property
logP
3.0889
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
89.61
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 68184174
ChEMBL ID
CHEMBL4068383
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: PT05403, Prostaglandin E2 receptor EP1 subtype
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 4500 nM
   TI
   LI
   LO
   TS