General Information of the Compound
Compound ID
CP0579250
Compound Name
1-[4-amino-2-(2-methylpropyl)imidazo[4,5-c]quinolin-1-yl]propan-2-ol
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Structure
Formula
C17H22N4O
Molecular Weight
298.39
Canonical SMILES
CC(C)Cc1nc2c(N)nc3ccccc3c2n1CC(C)O
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InChI
InChI=1S/C17H22N4O/c1-10(2)8-14-20-15-16(21(14)9-11(3)22)12-6-4-5-7-13(12)19-17(15)18/h4-7,10-11,22H,8-9H2,1-3H3,(H2,18,19)
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InChIKey
DWVGWUPXNPCQRM-UHFFFAOYSA-N
Physicochemical Property
logP
2.746
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
76.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 168293154
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
CL001041 HEK-SEAP Homo sapiens (Human)  1
1
EC50 = 3680 nM
   TI
   LI
   LO
   TS
Protein ID: PT02546, Toll-like receptor 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001041 HEK-SEAP Homo sapiens (Human)  1
1
EC50 = 27000 nM
   TI
   LI
   LO
   TS