General Information of the Compound
Compound ID
CP0508687
Compound Name
methyl 4-amino-2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate
    Show/Hide
Structure
Formula
C18H22N4O3
Molecular Weight
342.399
Canonical SMILES
CCc1nc2c(N)nc3cc(ccc3c2n1CC(C)(C)O)C(=O)OC
    Show/Hide
InChI
InChI=1S/C18H22N4O3/c1-5-13-21-14-15(22(13)9-18(2,3)24)11-7-6-10(17(23)25-4)8-12(11)20-16(14)19/h6-8,24H,5,9H2,1-4H3,(H2,19,20)
    Show/Hide
InChIKey
PHDXQAYAXMWXSQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.2866
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
103.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
25

"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: 71292294
SID: 163492767
ChEMBL ID
CHEMBL3116318
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
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 29100 nM
   TI
   LI
   LO
   TS