Docosanol


Entry
D03884                      Drug                                   
Name
Docosanol (USAN);
Abreva (TN)
Formula
C22H46O
Exact mass
326.3549
Mol weight
326.6
Structure
Simcomp
Remark
ATC code: D06BB11
Efficacy
Antiviral
Comment
Saturated fatty alcohol
Treatment of herpes simplex labialis
Target
HSV1 envelope glycoprotein
Structure map
map07044  Antiviral agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D06 ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
   D06B CHEMOTHERAPEUTICS FOR TOPICAL USE
    D06BB Antivirals
     D06BB11 Docosanol
      D03884  Docosanol (USAN)
Antimicrobials [BR:br08307]
 Antivirals
  Entry, fusion or uncoating inhibitor
   Herpesvirus glycoprotein
    D03884  Docosanol (USAN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D03884
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D03884
Rx-to-OTC switch list in the USA [br08315.html]
 D03884
Other DBs
CAS: 30303-65-2
PubChem: 17397968
LigandBox: D03884
KCF data

ATOM        23
            1   C1a C    16.5900  -15.7500
            2   C1b C    18.0124  -15.0500
            3   C1b C    19.2249  -15.7500
            4   C1b C    20.4373  -15.0500
            5   O1a O    21.6497  -15.7500
            6   C1b C    18.0124  -15.0500
            7   C1b C    19.2249  -15.7500
            8   C1b C    18.0124  -15.0500
            9   C1b C    19.2249  -15.7500
            10  C1b C    18.0124  -15.0500
            11  C1b C    19.2249  -15.7500
            12  C1b C    18.0124  -15.0500
            13  C1b C    19.2249  -15.7500
            14  C1b C    18.0124  -15.0500
            15  C1b C    19.2249  -15.7500
            16  C1b C    18.0124  -15.0500
            17  C1b C    19.2249  -15.7500
            18  C1b C    18.0124  -15.0500
            19  C1b C    19.2249  -15.7500
            20  C1b C    18.0124  -15.0500
            21  C1b C    19.2249  -15.7500
            22  C1b C    18.0124  -15.0500
            23  C1b C    19.2249  -15.7500
BOND        22
            1     4   5 1
            2     1   2 1
            3     2   3 1
            4     3   6 1
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     9  10 1
            9    10  11 1
            10   11  12 1
            11   12  13 1
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   16  17 1
            16   17  18 1
            17   18  19 1
            18   19  20 1
            19   20  21 1
            20   21  22 1
            21   22  23 1
            22   23   4 1
BRACKET     1    17.7100  -16.5200   17.7100  -14.8400
            1    19.5300  -14.8400   19.5300  -16.5200
            1  10
 ORIGINAL  1    2   3
 REPEAT    1    6   7   8   9  10  11  12  13  14  15  16  17  18  19  20  21
            1   22  23