General Information of the Compound
Compound ID
CP0402204
Compound Name
3-(3-methylbutyl)imidazo[1,2-a]pyrazin-8-amine
    Show/Hide
Structure
Formula
C11H16N4
Molecular Weight
204.277
Canonical SMILES
CC(C)CCc1cnc2c(N)nccn12
    Show/Hide
InChI
InChI=1S/C11H16N4/c1-8(2)3-4-9-7-14-11-10(12)13-5-6-15(9)11/h5-8H,3-4H2,1-2H3,(H2,12,13)
    Show/Hide
InChIKey
QZTSIOYOJFIKFR-UHFFFAOYSA-N
Physicochemical Property
logP
1.9001
Rotatable Bonds
3
Heavy Atom Count
15
Polar Areas
56.21
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
15

"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: 155513812
ChEMBL ID
CHEMBL4439607
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: PT02160, Toll-like receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000870 HEK-Blue Null1-v Homo sapiens (Human)  1
1
IC50 = 26000 nM
   TI
   LI
   LO
   TS