General Information of the Compound
Compound ID
CP0169426
Compound Name
N-(3,4-dimethoxyphenyl)-6-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine
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Structure
Formula
C21H18N6O2
Molecular Weight
386.415
Canonical SMILES
COc1ccc(Nc2nc(cn3ccnc23)-c2ccc3[nH]ncc3c2)cc1OC
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InChI
InChI=1S/C21H18N6O2/c1-28-18-6-4-15(10-19(18)29-2)24-20-21-22-7-8-27(21)12-17(25-20)13-3-5-16-14(9-13)11-23-26-16/h3-12H,1-2H3,(H,23,26)(H,24,25)
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InChIKey
IKNAMAHGVHNATR-UHFFFAOYSA-N
Physicochemical Property
logP
4.0334
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
89.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
29

"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: 59473411
ChEMBL ID
CHEMBL3265021
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 = 122 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10.4 nM