General Information of the Compound
Compound ID
CP0009420
Compound Name
3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
    Show/Hide
Synonyms
AR-534
CHEMBL2177159
    Show/Hide
Structure
Formula
C19H20N6O4S
Molecular Weight
428.474
Canonical SMILES
COCCNS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1
    Show/Hide
InChI
InChI=1S/C19H20N6O4S/c1-29-10-9-23-30(27,28)15-6-4-13(5-7-15)16-12-22-18(20)17(25-16)19(26)24-14-3-2-8-21-11-14/h2-8,11-12,23H,9-10H2,1H3,(H2,20,22)(H,24,26)
    Show/Hide
InChIKey
OMGQIHJJEYTELG-UHFFFAOYSA-N
Physicochemical Property
logP
1.2978
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
149.19
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
Complexity
30

"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: 56603751
SID: 163474230
ChEMBL ID
CHEMBL2177159
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: PT06138, Glycogen synthase kinase-3 beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
IC50 = 79 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( AR-534 )
Drug Name AR-534
Target(s)
Glycogen synthase kinase-3 alpha (GSK-3A)
Inhibitor