KEGG   DRUG: Ensifentrine
Entry
D11743                      Drug                                   
Name
Ensifentrine (USAN/INN)
Formula
C26H31N5O4
Exact mass
477.2376
Mol weight
477.5554
Structure
Efficacy
Bronchodilator, Phosphodiesterase inhibitor
Comment
Treatment of chronic obstructive pulmonary disease (COPD)
Target
PDE3 [HSA:5139 5140] [KO:K19021 K13296]
PDE4 [HSA:5141 5142 5143 5144] [KO:K13293]
  Pathway
hsa04022  cGMP-PKG signaling pathway
hsa04024  cAMP signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterases
    PDE3
     D11743  Ensifentrine (USAN/INN)
    PDE4
     D11743  Ensifentrine (USAN/INN)
Other DBs
CAS: 1884461-72-6
PubChem: 405226609
LinkDB
KCF data

ATOM        35
            1   C8y C    18.0600  -16.4500
            2   C8y C    18.0600  -17.8500
            3   C1x C    19.2724  -18.5500
            4   C1x C    20.4849  -17.8500
            5   N4y N    20.4849  -16.4500
            6   C8y C    19.2724  -15.7500
            7   C8x C    16.8476  -15.7500
            8   C8y C    15.6351  -16.4500
            9   C8y C    15.6351  -17.8500
            10  C8x C    16.8476  -18.5500
            11  C8y C    21.6973  -15.7500
            12  N4y N    21.6973  -14.3500
            13  C8y C    20.4849  -13.6500
            14  C8x C    19.2724  -14.3500
            15  O2a O    14.4040  -15.7390
            16  C1a C    13.1988  -16.4347
            17  O2a O    14.4040  -18.5610
            18  C1a C    13.1988  -17.8653
            19  O5x O    22.9118  -16.4512
            20  N2b N    20.4849  -12.2502
            21  C8y C    19.2913  -11.5610
            22  C8y C    19.2912  -10.1503
            23  C8x C    18.0787   -9.4504
            24  C8y C    16.8663  -10.1505
            25  C8x C    16.8664  -11.5612
            26  C8y C    18.0789  -12.2611
            27  C1a C    18.0789  -13.6499
            28  C1a C    15.6564   -9.4521
            29  C1a C    20.5251   -9.4375
            30  C1b C    22.9118  -13.6488
            31  C1b C    24.1083  -14.3398
            32  N1b N    25.2951  -13.6546
            33  C5a C    26.4866  -14.3428
            34  N1a N    27.6760  -13.6561
            35  O5a O    26.4866  -15.7497
BOND        38
            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     1   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    2  10 2
            12    5  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    6  14 2
            17    8  15 1
            18   15  16 1
            19    9  17 1
            20   17  18 1
            21   11  19 2
            22   13  20 2
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   21  26 1
            30   26  27 1
            31   24  28 1
            32   22  29 1
            33   12  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   33  35 2

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