General Information of the Compound
Compound ID
CP0090805
Compound Name
N-(3,4-dimethoxyphenyl)-6-(1-methylindazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
    Show/Hide
Structure
Formula
C22H20N6O2
Molecular Weight
400.442
Canonical SMILES
COc1ccc(Nc2nc(cn3ccnc23)-c2ccc3cnn(C)c3c2)cc1OC
    Show/Hide
InChI
InChI=1S/C22H20N6O2/c1-27-18-10-14(4-5-15(18)12-24-27)17-13-28-9-8-23-22(28)21(26-17)25-16-6-7-19(29-2)20(11-16)30-3/h4-13H,1-3H3,(H,25,26)
    Show/Hide
InChIKey
PISOXWXHEGHJBX-UHFFFAOYSA-N
Physicochemical Property
logP
4.0438
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
78.5
Hydrogen Bond Donor Count
1
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: 59473650
ChEMBL ID
CHEMBL3265022
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: PT01441, Tyrosine-protein kinase SYK
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000003 Ramos Homo sapiens (Human)  1
1
EC50 = 136 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 12.3 nM