KEGG   DRUG: ImiquimodHelp
Entry
D02500                      Drug                                   

Name
Imiquimod (JAN/USAN/INN);
Aldara (TN);
Zyclara (TN)
Product
  Generic
Formula
C14H16N4
Exact mass
240.1375
Mol weight
240.3036
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Therapeutic category: 6290
ATC code: D06BB10
Product: D02500<JP/US>
Efficacy
Antiviral, Immunomodulator, Toll-like receptor agonist
  Disease
Basal cell carcinoma [DS:H00029]
Genital warts [DS:H01418]
Target
TLR7 [HSA:51284] [KO:K05404]
  Pathway
hsa04620  Toll-like receptor signaling pathway
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D06 ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
   D06B CHEMOTHERAPEUTICS FOR TOPICAL USE
    D06BB Antivirals
     D06BB10 Imiquimod
      D02500  Imiquimod (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Dermatological Agents
  Imiquimod
   D02500  Imiquimod (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   629  Miscellaneous
    6290  Miscellaneous
     D02500  Imiquimod (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Cytokines and receptors
  Pattern recognition receptors
   Toll-like receptors
    TLR7
     D02500  Imiquimod (JAN/USAN/INN) <JP/US>
Antiinfectives [br08350.html]
 Antivirals
  D02500
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D02500
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D02500
BRITE hierarchy
Other DBs
CAS: 99011-02-6
PubChem: 17396674
ChEMBL: CHEMBL1282
DrugBank: DB00724
PDB-CCD: 6T0[PDBj]
LigandBox: D02500
NIKKAJI: J501.447F
LinkDB All DBs
KCF data Show

ATOM        18
            1   C8y C    24.0293  -16.9272
            2   C8y C    24.0236  -15.5377
            3   N4y N    22.7098  -17.3632
            4   C8y C    25.2386  -17.6247
            5   N5x N    22.7039  -15.1133
            6   C8y C    25.2386  -14.8400
            7   C8x C    21.8842  -16.2353
            8   C1b C    22.6922  -18.9793
            9   C8y C    26.4361  -16.9272
            10  N5x N    26.4361  -15.5377
            11  N1a N    25.2386  -13.4506
            12  C1c C    21.5761  -19.6886
            13  C1a C    20.4482  -18.9851
            14  C1a C    21.5819  -21.0799
            15  C8x C    25.2422  -18.9858
            16  C8x C    27.6759  -17.6394
            17  C8x C    27.6796  -19.0554
            18  C8x C    26.4964  -19.7428
BOND        20
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     6  10 1
            10    6  11 1
            11    8  12 1
            12   12  13 1
            13    5   7 2
            14    9  10 2
            15   12  14 1
            16    4  15 1
            17    9  16 1
            18   16  17 2
            19   17  18 1
            20   18  15 2

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