KEGG   DRUG: Delavirdine mesylateHelp
Entry
D00895                      Drug                                   

Name
Delavirdine mesylate (USAN);
Delavirdine mesilate (JAN);
Rescriptor (TN)
Product
Formula
C22H28N6O3S. CH4SO3
Exact mass
552.1825
Mol weight
552.6668
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antiviral
 DG01656  HIV reverse transcriptase inhibitor
Antineoplastic
 DG01889  Non-nucleoside reverse transcriptase inhibitor
Cyp substrate
 DG01642  CYP2C9 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A4 substrate
Cyp inhibitor
 DG01643  CYP2C9 inhibitor
Remark
Same as: 
ATC code: 
Chemical group: 
Activity
Antiviral, Reverse transcriptase inhibitor
Comment
Non-nucleoside reverse transcriptase inhibitor (NNRTI)
Target
RNA-directed DNA polymerase
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
Structure map
Anti-HIV agents
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
      D00895  Delavirdine mesylate (USAN)
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Non-nucleoside Reverse Transcriptase Inhibitors (NNRTI)
   Delavirdine
    D00895  Delavirdine mesylate (USAN)
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HIV agents
   Reverse transcriptase inhibitor (RTI)
    Non-nucleoside reverse transcriptase inhibitor (NNRTIs)
     Delavirdine
      D00895  Delavirdine mesylate (USAN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP2C9
   Delavirdine
    D00895  Delavirdine mesylate (USAN)
  CYP2C19
   Delavirdine
    D00895  Delavirdine mesylate (USAN)
 CYP substrates
  CYP2C9
   Delavirdine
    D00895  Delavirdine mesylate (USAN)
  CYP2C19
   Delavirdine
    D00895  Delavirdine mesylate (USAN)
  CYP2D6
   Delavirdine
    D00895  Delavirdine mesylate (USAN)
  CYP3A4
   Delavirdine
    D00895  Delavirdine mesylate (USAN)
 Transporter inhibitors
  ABCC2
   Delavirdine
    D00895  Delavirdine mesylate (USAN)
  ABCC3
   Delavirdine
    D00895  Delavirdine mesylate (USAN)
Antivirals [br08351.html]
 D00895
BRITE hierarchy
Other DBs
CAS: 
147221-93-0
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        37
            1   C8y C    21.4305  -13.9320
            2   N1y N    22.6518  -14.5982
            3   C8y C    20.2443  -14.6567
            4   N5x N    21.4014  -12.5531
            5   C1x C    22.6810  -15.9889
            6   C1x C    23.8320  -13.8793
            7   C8x C    18.9589  -13.9963
            8   N1b N    20.2094  -16.0474
            9   C8x C    20.1801  -11.8809
            10  C1x C    23.8905  -16.6609
            11  C1x C    25.0475  -14.5398
            12  C8x C    18.9939  -12.6056
            13  C1c C    19.0872  -16.7718
            14  N1y N    25.0826  -15.9305
            15  C1a C    19.1223  -18.1626
            16  C1a C    17.8659  -16.1057
            17  C5a C    26.2979  -16.6024
            18  C8y C    27.4841  -15.8779
            19  O5a O    26.3330  -17.9931
            20  C8x C    27.5060  -14.4931
            21  N4x N    28.8037  -16.3439
            22  C8y C    28.8371  -14.0898
            23  C8y C    29.6743  -15.2036
            24  C8x C    31.0743  -15.2036
            25  C8x C    31.7816  -13.9785
            26  C8y C    31.0904  -12.7816
            27  C8x C    29.6803  -12.7816
            28  N1b N    31.7756  -11.5950
            29  S4a S    33.1798  -11.5950
            30  C1a C    34.5798  -11.5950
            31  O1d O    33.1798  -10.2200
            32  O1d O    33.1798  -13.0200
            33  S4a S    34.6818  -16.9173
            34  C1a C    33.2851  -16.9114
            35  O1d O    36.0782  -16.9173
            36  O1d O    34.6758  -15.5206
            37  O1d O    34.6758  -18.3138
BOND        39
            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
            36   33  34 1
            37   33  35 1
            38   33  36 2
            39   33  37 2

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