KEGG   COMPOUND: C06941Help
Entry
C06941                      Compound                               

Name
Delavirdine
Formula
C22H28N6O3S
Exact mass
456.1944
Mol weight
456.5611
Structure
Mol fileKCF fileDB search
Remark
Same as: D07782
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AG Non-nucleoside reverse transcriptase inhibitors
     J05AG02 Delavirdine
      D07782  Delavirdine (INN)
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Non-nucleoside Reverse Transcriptase Inhibitors (NNRTI)
   Delavirdine
    D07782  Delavirdine (INN)
BRITE hierarchy
Other DBs
CAS: 136817-59-9
PubChem: 9156
ChEBI: 119573
ChEMBL: CHEMBL593
PDB-CCD: SPP[PDBj]
NIKKAJI: J571.558J
LinkDB All DBs
KCF data Show

ATOM        32
            1   C8y C    22.6534  -14.6534
            2   N1y N    23.8766  -15.3206
            3   C8y C    21.4654  -15.3792
            4   N5x N    22.6943  -13.2724
            5   C1x C    23.8358  -16.7135
            6   C1x C    25.0586  -14.6006
            7   C8x C    20.1780  -14.7178
            8   N1b N    21.5004  -16.7720
            9   C8x C    21.4011  -12.5991
            10  C1x C    25.1172  -17.3865
            11  C1x C    26.3460  -15.2621
            12  C8x C    20.1431  -13.3250
            13  C1c C    20.3765  -17.4976
            14  N1y N    26.3111  -16.6550
            15  C1a C    20.3417  -18.8905
            16  C1a C    19.1533  -16.8304
            17  C5a C    27.5283  -17.3279
            18  C8y C    28.7163  -16.6023
            19  O5a O    27.4934  -18.7207
            20  C8x C    28.6682  -15.2154
            21  N4x N    30.0379  -17.0690
            22  C8y C    30.0714  -14.8114
            23  C8y C    30.9099  -15.9269
            24  C8x C    32.3120  -15.9269
            25  C8x C    33.0204  -14.7000
            26  C8y C    32.3281  -13.5012
            27  C8x C    30.9159  -13.5012
            28  N1b N    33.0144  -12.3128
            29  S4a S    34.4207  -12.3128
            30  C1a C    35.8229  -12.3128
            31  O3c O    34.4207  -10.9357
            32  O3c O    34.4207  -13.7400
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 1
            13   10  14 1
            14   13  15 1
            15   13  16 1
            16   14  17 1
            17   17  18 1
            18   17  19 2
            19   18  20 2
            20   18  21 1
            21   20  22 1
            22   21  23 1
            23    9  12 2
            24   11  14 1
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  22 2
            31   26  28 1
            32   28  29 1
            33   29  30 1
            34   29  31 2
            35   29  32 2

» Japanese version

DBGET integrated database retrieval system