KEGG   DRUG: D00895Help
Entry
D00895                      Drug                                   

Name
Delavirdine mesilate (JAN);
Delavirdine mesylate (USAN);
Rescriptor (TN)
Product
Formula
C22H28N6O3S. CH4SO3
Exact mass
552.1825
Mol weight
552.6668
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiviral [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
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 mesilate (JAN); Delavirdine mesylate (USAN)
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Non-nucleoside Reverse Transcriptase Inhibitors (NNRTI)
   Delavirdine
    D00895  Delavirdine mesilate (JAN); Delavirdine mesylate (USAN)
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HIV agent
   Reverse transcriptase inhibitor (RTI)
    Non-nucleoside reverse transcriptase inhibitors (NNRTIs)
     Delavirdine
      D00895  Delavirdine mesilate (JAN); Delavirdine mesylate (USAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2C9
   Delavirdine
    D00895  Delavirdine mesilate (JAN); Delavirdine mesylate (USAN)
  CYP2C19
   Delavirdine
    D00895  Delavirdine mesilate (JAN); Delavirdine mesylate (USAN)
  CYP2D6
   Delavirdine
    D00895  Delavirdine mesilate (JAN); Delavirdine mesylate (USAN)
  CYP3A4
   Delavirdine
    D00895  Delavirdine mesilate (JAN); Delavirdine mesylate (USAN)
 Inhbitors
  CYP2C9
   Delavirdine
    D00895  Delavirdine mesilate (JAN); Delavirdine mesylate (USAN)
  CYP2C19
   Delavirdine
    D00895  Delavirdine mesilate (JAN); Delavirdine mesylate (USAN)
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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