KEGG   DRUG: EntecavirHelp
Entry
D07896                      Drug                                   

Name
Entecavir (INN)
Formula
C12H15N5O3
Exact mass
277.1175
Mol weight
277.2792
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antiviral
 DG01890  Nucleoside reverse transcriptase inhibitor (NRTI)
Remark
ATC code: J05AF10
Chemical structure group: DG00661
Product (DG00661): D04008<JP/US>
Efficacy
Antiviral, Reverse transcriptase inhibitor
Target
RNA-directed DNA polymerase
Structure map
map07044  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
      D07896  Entecavir (INN)
USP drug classification [BR:br08302]
 Antivirals
  Anti-hepatitis B (HBV) Agents
   Entecavir
    D07896  Entecavir (INN)
BRITE hierarchy
Other DBs
CAS: 142217-69-4
PubChem: 96024592
ChEBI: 473990
ChEMBL: CHEMBL1873623 CHEMBL713
DrugBank: DB00442
LigandBox: D07896
NIKKAJI: J846.317D
KCF data Show

ATOM        20
            1   C8y C    24.5829  -13.9364
            2   C8y C    24.5548  -15.4280
            3   C8y C    25.5986  -13.1882
            4   N5x N    23.1983  -13.5418
            5   N4y N    23.2999  -15.9446
            6   N5x N    25.8020  -16.0746
            7   O5x O    25.6471  -11.7934
            8   N4x N    26.9425  -13.8145
            9   C8x C    22.3964  -14.7711
            10  C1y C    21.6240  -17.0627
            11  C8y C    26.9576  -15.3264
            12  C2y C    20.5182  -16.2076
            13  C1x C    21.1861  -18.2445
            14  N1a N    28.2430  -15.9145
            15  C1y C    19.3887  -16.9598
            16  C1y C    19.7884  -18.2938
            17  C1b C    18.0671  -16.5208
            18  O1a O    17.0064  -17.3440
            19  C2a C    20.5389  -14.8099
            20  O1a O    18.9332  -19.3996
BOND        22
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9    10   5 1 #Up
            10    6  11 2
            11   10  12 1
            12   10  13 1
            13   11  14 1
            14   12  15 1
            15   13  16 1
            16   15  17 1 #Up
            17   17  18 1
            18    5   9 1
            19    8  11 1
            20   15  16 1
            21   12  19 2
            22   16  20 1 #Down

» Japanese version   » Back

DBGET integrated database retrieval system