Common name
1-methylimidazo[4,5-c]quinolin-4-amine
IUPAC name
1-methylimidazo[4,5-c]quinolin-4-amine
SMILES
Cn1c2c3c(nc(c2nc1)N)cccc3
Common name
1-methylimidazo[4,5-c]quinolin-4-amine
IUPAC name
1-methylimidazo[4,5-c]quinolin-4-amine
SMILES
Cn1c2c3c(nc(c2nc1)N)cccc3
INCHI
InChI=1S/C11H10N4/c1-15-6-13-9-10(15)7-4-2-3-5-8(7)14-11(9)12/h2-6H,1H3,(H2,12,14)
FORMULA
C11H10N4
Common name
1-methylimidazo[4,5-c]quinolin-4-amine
IUPAC name
1-methylimidazo[4,5-c]quinolin-4-amine
Molecular weight
199.232
clogP
0.041
clogS
-2.669
Frequency
0.0003
HBond Acceptor
1
HBond Donor
3
Total PolarSurface Area
58.58
Number of Rings
3
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00588 | Imiquimod |
|
Antineoplastic Agents; Antiviral Agents; Adjuvants, Immunologic; Immunosuppressive Agents; Interferon Inducers; Dermatologicals; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP3A4 Inhibitors; | For the topical treatment of clinically typical, nonhyperkeratotic, nonhypertrophic actinic keratoses on the face or scalp in immunocompetent adults. Also indicated for the treatment of external genital and perianal warts/condyloma acuminata in individuals 12 years old and above. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5c8k_ligand_2_9.mol2 | 5c8k | 0.756098 | -7.10 | Nc1cc2c(cn1)[nH]c[n+]2C1CCCC1 | 15 |
| 4hvb_ligand_frag_0.mol2 | 4hvb | 0.714286 | -6.80 | c1ccc2c(n1)c1c(cn2)n(c(=O)[nH]1)C | 15 |
| 3n4c_ligand_frag_0.mol2 | 3n4c | 0.69863 | -5.64 | c12c([n+](c[nH]1)C)ccnc2 | 10 |
100 ,
11
