KEGG   DRUG: PimecrolimusHelp
Entry
D05480                      Drug                                   

Name
Pimecrolimus (JAN/USAN/INN);
Elidel (TN)
Product
  Generic
Formula
C43H68ClNO11
Exact mass
809.4481
Mol weight
810.4531
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: D11AH02
Product: D05480<US>
Efficacy
Immunosuppressant, Calcineurin inhibitor
  Disease
Atopic dermatitis [DS:H01358]
Comment
Treatment of inflammatory skin disease
Target
PPP3C/PPP3R/CHP [HSA:5530 5532 5533 5534 5535 11261 63928] [KO:K04348 K06268 K17610 K17611]
  Pathway
hsa04010  MAPK signaling pathway
hsa04218  Cellular senescence
hsa04380  Osteoclast differentiation
hsa04650  Natural killer cell mediated cytotoxicity
hsa04658  Th1 and Th2 cell differentiation
hsa04659  Th17 cell differentiation
hsa04660  T cell receptor signaling pathway
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D11 OTHER DERMATOLOGICAL PREPARATIONS
   D11A OTHER DERMATOLOGICAL PREPARATIONS
    D11AH Agents for dermatitis, excluding corticosteroids
     D11AH02 Pimecrolimus
      D05480  Pimecrolimus (JAN/USAN/INN) <US>
USP drug classification [BR:br08302]
 Dermatological Agents
  Pimecrolimus
   D05480  Pimecrolimus (JAN/USAN/INN)
 Immunological Agents
  Immune Suppressants
   Pimecrolimus
    D05480  Pimecrolimus (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphatases
    PPP3C/PPP3R/CHP
     D05480  Pimecrolimus (JAN/USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D05480
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D05480
BRITE hierarchy
Other DBs
CAS: 137071-32-0
PubChem: 47207149
ChEMBL: CHEMBL1200686
DrugBank: DB00337
LigandBox: D05480
NIKKAJI: J1.625.653F
LinkDB All DBs
KCF data Show

ATOM        56
            1   C1y C    32.5631  -12.8796
            2   C1x C    33.7316  -13.5601
            3   C1y C    34.9330  -12.8730
            4   C1y C    34.9387  -11.4891
            5   C1x C    33.7710  -10.8085
            6   C1x C    32.5696  -11.4956
            7   C1y C    24.2303  -19.0941
            8   O2x O    24.2303  -17.7102
            9   C1z C    22.9847  -17.0182
            10  C5a C    24.2303  -14.9422
            11  C5a C    22.9847  -15.6342
            12  O6a O    26.5830  -14.9422
            13  C7a C    26.5830  -13.5582
            14  C1y C    25.4066  -12.8662
            15  N1y N    24.2303  -13.5582
            16  C1c C    25.4066  -19.7861
            17  C1c C    29.0050  -14.9422
            18  C1c C    29.0050  -13.5582
            19  O7a O    27.8286  -12.8662
            20  C1b C    30.1814  -17.0182
            21  C1c C    30.1814  -15.6342
            22  C2c C    29.0050  -19.0941
            23  C2b C    30.1814  -19.7861
            24  C1c C    31.4270  -19.0941
            25  C5a C    31.4270  -17.7102
            26  C1b C    27.8286  -19.7861
            27  O5a O    25.4066  -15.6342
            28  O5a O    21.8083  -14.9422
            29  C1x C    25.4066  -11.4822
            30  C1x C    24.2303  -10.7903
            31  C1x C    22.9847  -11.4822
            32  C1x C    22.9847  -12.8662
            33  C1y C    21.8083  -17.7102
            34  C1x C    21.8083  -19.0941
            35  C1y C    22.9847  -19.7861
            36  C1b C    25.4066  -21.1701
            37  C1c C    27.8738  -21.1701
            38  O2a O    26.6080  -19.0990
            39  O2a O    22.9677  -21.1700
            40  C1a C    20.6069  -17.0230
            41  C1a C    27.8036  -15.6293
            42  O1a O    31.3828  -14.9470
            43  C1a C    28.7855  -22.1699
            44  C1b C    32.6198  -19.7960
            45  O5a O    32.6198  -17.0083
            46  C1a C    29.0050  -17.7102
            47  C1a C    26.6034  -17.7104
            48  C1a C    21.7737  -21.8401
            49  C2c C    30.2064  -12.8711
            50  C1a C    33.8156  -19.1186
            51  C2b C    31.3812  -13.5559
            52  C1a C    30.2121  -11.4825
            53  X   Cl   36.1561  -10.7928
            54  O2a O    36.1428  -13.5785
            55  C1a C    37.3451  -12.8911
            56  O1a O    23.1247  -18.4182
BOND        59
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9    10  11 1
            10    9  11 1
            11   12  13 2
            12   13  14 1
            13   14  15 1
            14   10  15 1
            15    7  16 1
            16   17  18 1
            17   18  19 1
            18   13  19 1
            19   20  21 1
            20   17  21 1
            21   22  23 2
            22   23  24 1
            23   24  25 1
            24   20  25 1
            25   26  22 1
            26   10  27 2
            27   11  28 2
            28   14  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   15  32 1
            33    9  33 1
            34   33  34 1
            35   34  35 1
            36   35   7 1
            37   16  36 1
            38   37  26 1
            39   36  37 1
            40   16  38 1 #Up
            41   35  39 1 #Up
            42   33  40 1 #Up
            43   17  41 1 #Up
            44   21  42 1 #Up
            45   37  43 1 #Down
            46   24  44 1 #Down
            47   25  45 2
            48   22  46 1
            49   38  47 1
            50   39  48 1
            51   18  49 1
            52   44  50 1
            53   49  51 2
            54   49  52 1
            55    1  51 1
            56    4  53 1 #Down
            57    3  54 1 #Down
            58   54  55 1
            59    9  56 1 #Up

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