General Information of the Compound
Compound ID
CP0094682
Compound Name
1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-amine
    Show/Hide
Synonyms
1-(2-Methylpropyl)-1H-imidazole[4,5-c]quinoline-4-amine
1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-amine
1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
1-isobutyl-1H-imidazo(4,5-c)quinolin-4-amine
1-isobutyl-1H-imidazo[4,5-c]quinolin-4-amine
3M Brand of Imiquimod
4-Amino-1-isobutyl-1H-imidazo(4,5-c)quinoline
4-Amino-1-isobutyl-1H-imidazo[4,5-c]quinoline
Aldara
Aldara (TN)
Aldara, Imiquimod
Beselna
Beselna (TN)
DZ-2636
Imiquimod
Imiquimod (JAN/USAN/INN)
Imiquimod [USAN:INN]
Imiquimod acetate
MTD-39
R 837
R-837
S 26308
S-26308
TMX-101
Zartra
Zyclara
    Show/Hide
Structure
Formula
C14H16N4
Molecular Weight
240.31
Canonical SMILES
CC(C)Cn1cnc2c(N)nc3ccccc3c12
    Show/Hide
InChI
InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)
    Show/Hide
InChIKey
DOUYETYNHWVLEO-UHFFFAOYSA-N
CAS
99011-02-6
Physicochemical Property
logP
2.8227
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
56.73
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 57469
SID: 12013659
ChEMBL ID
CHEMBL1282
DrugBank ID
DB00724
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: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 580.5 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02160, Toll-like receptor 7
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  5
1
EC50 = 2120 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
EC50 = 6200 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
EC50 = 10700 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
4
EC50 = 11400 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
5
EC50 = 12100 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000870 HEK-Blue Null1-v
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 6800 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Imiquimod )
Drug Name Imiquimod
Company INova Pharmaceuticals
Indication
Skin cancer
Approved
Target(s)
Toll-like receptor 7 (TLR7)
 Target Info 
Agonist