KEGG   DRUG: Tolciclate
Entry
D01384                      Drug                                   
Name
Tolciclate (JAN/USAN/INN)
Formula
C20H21NOS
Exact mass
323.1344
Mol weight
323.4518
Structure
Simcomp
Remark
ATC code: D01AE19
Efficacy
Antifungal, Ergosterol biosynthesis inhibitor
Comment
Thiocarbamete
Target
squalene epoxidase [KO:K00511]
  Pathway
ko00100  Steroid biosynthesis
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D01 ANTIFUNGALS FOR DERMATOLOGICAL USE
   D01A ANTIFUNGALS FOR TOPICAL USE
    D01AE Other antifungals for topical use
     D01AE19 Tolciclate
      D01384  Tolciclate (JAN/USAN/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Tolciclate
    D01384  Tolciclate (JAN/USAN/INN)
Antimicrobials [BR:br08307]
 Antifungals
  Ergosterol biosynthesis inhibitor
   Other ergosterol biosynthesis inhibitor
    D01384  Tolciclate (JAN/USAN/INN)
Rx-to-OTC switch list in Japan [br08314.html]
 D01384
Other DBs
CAS: 50838-36-3
PubChem: 7848447
ChEBI: 32242
LigandBox: D01384
NIKKAJI: J4.426A
LinkDB
KCF data

ATOM        23
            1   C1y C    30.3584  -15.8468
            2   C1x C    29.9009  -17.2607
            3   C8x C    19.5310  -16.5634
            4   C8y C    19.5310  -17.9523
            5   C8x C    20.7367  -18.6467
            6   C8y C    21.9353  -17.9523
            7   C8x C    21.9353  -16.5634
            8   C8x C    20.7367  -15.8690
            9   N1c N    23.1387  -18.6457
            10  C1a C    23.1397  -20.0346
            11  C2c C    24.3408  -17.9504
            12  O2a O    25.5442  -18.6440
            13  S0  S    24.3398  -16.5616
            14  C8y C    26.7465  -17.9486
            15  C8x C    27.9440  -18.6447
            16  C8x C    27.9420  -15.8670
            17  C8x C    26.7396  -16.5622
            18  C8y C    29.1403  -16.5558
            19  C8y C    29.1453  -17.9654
            20  C1y C    30.3684  -18.6659
            21  C1x C    31.5865  -17.9568
            22  C1x C    31.5816  -16.5472
            23  C1a C    18.3285  -18.6472
BOND        26
            1    11  12 1
            2     5   6 2
            3    11  13 2
            4     6   7 1
            5    12  14 1
            6     7   8 2
            7     8   3 1
            8     1   2 1
            9    14  15 2
            10   15  19 1
            11   18  16 1
            12   16  17 2
            13   17  14 1
            14    6   9 1
            15    9  10 1
            16    3   4 2
            17    9  11 1
            18   18  19 2
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22   1 1
            23    1  18 1
            24    2  20 1
            25    4   5 1
            26    4  23 1

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