KEGG   DRUG: MethoxsalenHelp
Entry
D00139                      Drug                                   

Name
Methoxsalen (JP17/USP);
Oxsoralen (TN);
UVADEX (TN)
Product
  Generic
Formula
C12H8O4
Exact mass
216.0423
Mol weight
216.1895
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cyp substrate
 DG01891  CYP1A1 substrate
 DG01892  CYP1A2 substrate
 DG01638  CYP2A6 substrate
Cyp inhibitor
 DG01634  CYP1A2 inhibitor
 DG01525  CYP2A6 inhibitor
Remark
Same as: 
Therapeutic category: 
ATC code: 
Efficacy
Antivitiligo, Pigmentation agent
  Disease
Psoriasis [DS:H01656]
Comment
Psoralen derivative
Metabolism
Enzyme: CYP2A6 [HSA:1548], CYP1A1 [HSA:1543], CYP1A2 [HSA:1544]
Interaction
CYP inhibition: CYP1A2 [HSA:1544], CYP2A6 [HSA:1548]
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D05 ANTIPSORIATICS
   D05A ANTIPSORIATICS FOR TOPICAL USE
    D05AD Psoralens for topical use
     D05AD02 Methoxsalen
      D00139  Methoxsalen (JP17/USP)
   D05B ANTIPSORIATICS FOR SYSTEMIC USE
    D05BA Psoralens for systemic use
     D05BA02 Methoxsalen
      D00139  Methoxsalen (JP17/USP)
USP drug classification [BR:br08302]
 Dermatological Agents
  Methoxsalen
   D00139  Methoxsalen (JP17/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  26  Epidermides
   269  Miscellaneous
    2699  Others
     D00139  Methoxsalen (JP17/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00139  Methoxsalen
BRITE hierarchy
Other DBs
CAS: 
298-81-7
PubChem: 
ChEBI: 
ChEMBL: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        16
            1   C8y C    21.0700  -25.2700
            2   C8x C    21.0700  -26.6700
            3   C8x C    22.2824  -27.3700
            4   C8y C    23.4949  -26.6700
            5   C8y C    23.4949  -25.2700
            6   O7x O    22.2824  -24.5700
            7   C8x C    24.7073  -27.3700
            8   C8y C    25.9197  -26.6700
            9   C8y C    25.9197  -25.2700
            10  C8y C    24.7073  -24.5700
            11  C8x C    27.2512  -27.1026
            12  C8x C    28.0741  -25.9700
            13  O2x O    27.2512  -24.8374
            14  O6a O    19.8576  -24.5700
            15  O2a O    24.7073  -23.1700
            16  C1a C    25.9218  -22.4688
BOND        18
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 2
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15    9  13 1
            16    1  14 2
            17   10  15 1
            18   15  16 1

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