KEGG   DRUG: EntecavirHelp
Entry
D04008                      Drug                                   

Name
Entecavir (USAN);
Entecavir hydrate (JAN);
Baraclude (TN)
Product
  Generic
Formula
C12H15N5O3. H2O
Exact mass
295.1281
Mol weight
295.2945
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Antiviral
 DG01890  Nucleoside reverse transcriptase inhibitor
Remark
Therapeutic category: 
ATC code: 
Chemical group: 
Activity
Antiviral, Reverse transcriptase inhibitor
  Disease
Hepatitis B [DS:H00412]
Comment
Nucleoside reverse transcriptase inhibitor (NRTI)
Treatment of hepatitis B infections
Target
RNA-directed DNA polymerase
Structure map
Antiviral agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AF Nucleoside and nucleotide reverse transcriptase inhibitors
     J05AF10 Entecavir
      D04008  Entecavir (USAN)
USP drug classification [BR:br08302]
 Antivirals
  Anti-hepatitis B (HBV) Agents
   Entecavir
    D04008  Entecavir (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D04008  Entecavir (USAN); Entecavir hydrate (JAN)
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HBV agents
   Reverse transcriptase inhibitor (RTI)
    Nucleoside and nucleotide reverse transcriptase inhibitor (NRTIs)
     Entecavir
      D04008  Entecavir (USAN)
Antivirals [br08351.html]
 D04008
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D04008
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D04008
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D04008
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D04008
BRITE hierarchy
Other DBs
CAS: 
209216-23-9
PubChem: 
ChEBI: 
DrugBank: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        21
            1   O0  O    30.7234  -17.2838
            2   C8y C    23.0300  -15.3300
            3   C8y C    23.0300  -16.8000
            4   C8y C    24.0100  -14.6300
            5   N5x N    21.7000  -14.9800
            6   N4y N    21.7700  -17.2900
            7   N5x N    24.2200  -17.4300
            8   O5x O    24.0100  -13.2300
            9   N4x N    25.3400  -15.1900
            10  C8x C    20.8600  -16.1700
            11  C1y C    20.1600  -18.4100
            12  C8y C    25.3400  -16.7300
            13  C2y C    19.0400  -17.5700
            14  C1x C    19.6700  -19.6000
            15  N1a N    26.6000  -17.2900
            16  C1y C    17.9200  -18.2700
            17  C1y C    18.3400  -19.6000
            18  C1b C    16.6600  -17.8500
            19  O1a O    15.6100  -18.6900
            20  C2a C    19.0400  -16.1700
            21  O1a O    17.5000  -20.7200
BOND        22
            1     2   3 2
            2     2   4 1
            3     2   5 1
            4     3   6 1
            5     3   7 1
            6     4   8 2
            7     4   9 1
            8     5  10 2
            9    11   6 1 #Up
            10    7  12 2
            11   11  13 1
            12   11  14 1
            13   12  15 1
            14   13  16 1
            15   14  17 1
            16   16  18 1 #Up
            17   18  19 1
            18    6  10 1
            19    9  12 1
            20   16  17 1
            21   13  20 2
            22   17  21 1 #Down

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