KEGG   DRUG: D07782Help
Entry
D07782                      Drug                                   

Name
Delavirdine (INN)
Formula
C22H28N6O3S
Exact mass
456.1944
Mol weight
456.5611
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiviral, HIV reverse transcriptase inhibitor [DS:H00406]
Remark
Same as: 
ATC code: 
Drug group: 
Comment
Non-nucleoside reverse transcriptase inhibitor (NNRTI)
Target
RNA-directed DNA polymerase inhibitor
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2D6 [HSA:1565], CYP2C9 [HSA:1559], CYP2C19 [HSA:1557]
Interaction
CYP inhibition: CYP2C9 [HSA:1559], CYP2C19 [HSA:1557]
Transporter inhibition: ABCC2 [HSA:1244], ABCC3 [HSA:8714]
Drug interaction
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)
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HIV agents
   Reverse transcriptase inhibitor (RTI)
    Non-nucleoside reverse transcriptase inhibitors (NNRTIs)
     Delavirdine
      D07782  Delavirdine (INN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2C9
   Delavirdine
    D07782  Delavirdine (INN)
  CYP2C19
   Delavirdine
    D07782  Delavirdine (INN)
  CYP2D6
   Delavirdine
    D07782  Delavirdine (INN)
  CYP3A4
   Delavirdine
    D07782  Delavirdine (INN)
 Inhbitors
  CYP2C9
   Delavirdine
    D07782  Delavirdine (INN)
  CYP2C19
   Delavirdine
    D07782  Delavirdine (INN)
BRITE hierarchy
Other DBs
CAS: 
136817-59-9
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        32
            1   C8y C    19.0776  -16.6954
            2   N1y N    20.2700  -17.3968
            3   C8y C    17.8852  -17.4670
            4   N5x N    19.0774  -15.3628
            5   C1x C    20.2701  -18.7997
            6   C1x C    21.4624  -16.6954
            7   C8x C    16.6225  -16.7656
            8   N1b N    17.8850  -18.8698
            9   C8x C    17.8150  -14.6613
            10  C1x C    21.5325  -19.4309
            11  C1x C    22.6548  -17.3267
            12  C8x C    16.6226  -15.3628
            13  C1c C    16.6928  -19.5712
            14  N1y N    22.7249  -18.7295
            15  C1a C    16.6929  -20.9740
            16  C1a C    15.5004  -18.8698
            17  C5a C    23.9173  -19.4309
            18  C8y C    25.1097  -18.6594
            19  O5a O    23.9174  -20.7636
            20  C8x C    25.1098  -17.2566
            21  N4x N    26.4424  -19.1504
            22  C8y C    26.5125  -16.9059
            23  C8y C    27.3542  -18.0281
            24  C8x C    28.7570  -18.0281
            25  C8x C    29.4584  -16.7656
            26  C8y C    28.7570  -15.5732
            27  C8x C    27.3542  -15.5732
            28  N1b N    29.4584  -14.3808
            29  S4a S    30.8613  -14.3808
            30  C1a C    32.2641  -14.3808
            31  O3c O    30.8613  -12.9780
            32  O3c O    30.8613  -15.7836
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

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