KEGG   DRUG: Danuglipron tromethamine
Entry
D11911                      Drug                                   

Name
Danuglipron tromethamine (USAN)
Formula
C31H30FN5O4. C4H11NO3
Exact mass
676.3021
Mol weight
676.7344
Structure
Remark
Chemical structure group: DG03125
Efficacy
Antidiabetic
Target
GLP1R [HSA:2740] [KO:K04581]
  Pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04911  Insulin secretion
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Secretin receptor family
   Glucagon
    GLP1R
     D11911  Danuglipron tromethamine (USAN)
Other DBs
CAS: 2230198-03-3
ChEMBL: CHEMBL4650218
LinkDB
KCF data

ATOM        49
            1   C8y C     4.7922  -13.6948
            2   C8x C     4.7922  -15.0992
            3   C8y C     5.9860  -15.8015
            4   C8y C     7.1798  -15.0992
            5   C8x C     7.1798  -13.6948
            6   C8x C     5.9860  -12.9925
            7   C3b C     3.5984  -12.9925
            8   N3a N     2.3344  -12.2903
            9   X   F     5.9860  -17.2060
            10  C1b C     8.4439  -15.8015
            11  O2a O     9.6377  -15.0992
            12  C8y C    10.8315  -15.8015
            13  C8x C    10.8315  -17.2060
            14  C8x C    12.0253  -17.9082
            15  C8x C    13.2893  -17.2060
            16  C8y C    13.2893  -15.8015
            17  N5x N    12.0253  -15.0992
            18  C1y C    14.4831  -15.0992
            19  C1x C    15.6769  -15.8015
            20  C1x C    16.8707  -15.0992
            21  N1y N    16.8707  -13.6948
            22  C1x C    15.6769  -12.9925
            23  C1x C    14.4831  -13.6948
            24  C1b C    18.1348  -12.9925
            25  C8y C    19.3286  -13.6948
            26  N4y N    19.2583  -15.0992
            27  C8y C    20.5926  -15.5908
            28  C8y C    21.5055  -14.4672
            29  N5x N    20.6628  -13.2734
            30  C1b C    18.1348  -15.8717
            31  C1y C    18.1348  -17.2762
            32  O2x O    17.1516  -18.2593
            33  C1x C    18.1348  -19.2424
            34  C1x C    19.1179  -18.2593
            35  C8x C    21.1544  -16.8548
            36  C8y C    22.4886  -17.0655
            37  C8x C    23.4015  -15.9419
            38  C8x C    22.8397  -14.6779
            39  C6a C    23.0504  -18.3295
            40  O6a O    24.3847  -18.5402
            41  O6a O    22.1375  -19.4531
            42  C1b C    30.0300  -14.6300
            43  O1a O    31.2424  -15.3300
            44  C1d C    28.8176  -15.3300
            45  C1b C    27.6221  -14.6396
            46  O1a O    26.4347  -15.3251
            47  N1a N    28.8176  -13.9300
            48  C1b C    28.8176  -16.7300
            49  O1a O    30.0467  -17.4398
BOND        53
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 3
            9     3   9 1
            10    4  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   12  17 1
            19   16  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   18  23 1
            26   21  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   25  29 2
            33   26  30 1
            34   31  30 1 #Down
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   31  34 1
            39   27  35 1
            40   35  36 2
            41   36  37 1
            42   37  38 2
            43   28  38 1
            44   36  39 1
            45   39  40 1
            46   39  41 2
            47   42  43 1
            48   42  44 1
            49   44  45 1
            50   45  46 1
            51   44  47 1
            52   44  48 1
            53   48  49 1

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