General Information of the Compound
Compound ID
CP0520936
Compound Name
2-butyl-7-methoxy-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
    Show/Hide
Structure
Formula
C19H26N4O
Molecular Weight
326.444
Canonical SMILES
CCCCc1nc2c(N)nc3cc(OC)ccc3c2n1CC(C)C
    Show/Hide
InChI
InChI=1S/C19H26N4O/c1-5-6-7-16-22-17-18(23(16)11-12(2)3)14-9-8-13(24-4)10-15(14)21-19(17)20/h8-10,12H,5-7,11H2,1-4H3,(H2,20,21)
    Show/Hide
InChIKey
BNPZZJJCBTZDEK-UHFFFAOYSA-N
Physicochemical Property
logP
4.1739
Rotatable Bonds
6
Heavy Atom Count
24
Polar Areas
65.96
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 155213751
ChEMBL ID
CHEMBL4642612
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
EC50 = 110 nM
   TI
   LI
   LO
   TS
Protein ID: PT02546, Toll-like receptor 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000870 HEK-Blue Null1-v Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS