KEGG   DRUG: Octreotide hydrochloride
Entry
D11204                      Drug                                   
Name
Octreotide hydrochloride (USAN);
Oczyesa (TN)
Formula
C49H66N10O10S2. 2HCl
Exact mass
1090.3938
Mol weight
1092.16
Structure
Simcomp
Class
Hormonal agent
 DG01588  Somatostatin receptor agonist
Remark
ATC code: H01CB02
Chemical structure group: DG00501
Product (DG00501): D02250<JP> D06495<US>
Efficacy
Antisecretory (hormone), Somatostatin receptor agonist
Target
SSTR2 [HSA:6752] [KO:K04218]
  Pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04971  Gastric acid secretion
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H01 PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
   H01C HYPOTHALAMIC HORMONES
    H01CB Somatostatin and analogues
     H01CB02 Octreotide
      D11204  Octreotide hydrochloride (USAN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01588  Somatostatin receptor agonist
   DG00501  Octreotide
    D11204  Octreotide hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Somatostatin
    SSTR2
     D11204  Octreotide hydrochloride (USAN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11204
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11204
Drug groups [BR:br08330]
 Hormonal agent
  DG01588  Somatostatin receptor agonist
   DG00501  Octreotide
Other DBs
CAS: 1607842-55-6
PubChem: 384585182
LinkDB
KCF data

ATOM        73
            1   C8y C    22.1216  -21.9115
            2   C8x C    21.4215  -23.1016
            3   C8x C    22.1216  -24.3617
            4   C8x C    23.5217  -24.3617
            5   C8x C    24.2217  -23.1716
            6   C8y C    23.5217  -21.9115
            7   N4x N    23.9417  -20.5814
            8   C8x C    22.8216  -19.7414
            9   C8y C    21.7015  -20.5814
            10  N1b N    14.4210  -13.5810
            11  C1y C    15.6111  -14.2810
            12  C1x C    16.8712  -13.5810
            13  S3x S    18.0613  -14.2810
            14  S3x S    19.2514  -13.5810
            15  C1x C    20.5114  -14.2810
            16  C1y C    21.7015  -13.5810
            17  N1x N    22.8916  -14.2810
            18  C5x C    15.6111  -15.6811
            19  O5x O    14.4210  -16.3811
            20  C5x C    24.1517  -13.5810
            21  C1y C    25.3418  -14.2810
            22  O5x O    24.1517  -12.1809
            23  N1x N    25.3418  -15.6811
            24  C1c C    26.6019  -13.5810
            25  O1a O    27.7920  -14.2810
            26  C1a C    26.6019  -12.1809
            27  C5x C    24.1517  -16.3811
            28  C1y C    24.1517  -17.7812
            29  O5x O    22.8916  -15.6811
            30  N1x N    22.8916  -18.4813
            31  C5x C    21.7015  -17.7812
            32  C1y C    20.4414  -18.4813
            33  O5x O    21.7015  -16.3811
            34  N1x N    19.2514  -17.7812
            35  C5x C    18.0613  -18.4813
            36  C1y C    16.8012  -17.7812
            37  C1b C    15.6111  -18.4813
            38  N1x N    16.8012  -16.3811
            39  O5x O    18.0613  -19.8814
            40  C8y C    15.6111  -19.8814
            41  C5a C    21.7015  -12.1809
            42  O5a O    22.8916  -11.4808
            43  N1b N    20.5114  -11.4808
            44  C1c C    20.5114  -10.0807
            45  C1c C    19.2514   -9.3807
            46  C1b C    21.7015   -9.3807
            47  O1a O    22.8916  -10.0807
            48  C1a C    18.0613  -10.0807
            49  O1a O    19.2514   -7.9806
            50  C5a C    13.2309  -14.2810
            51  C1c C    11.9708  -13.5810
            52  O5a O    13.2309  -15.6811
            53  N1a N    11.9708  -12.1809
            54  C1b C    10.7808  -14.2810
            55  C8x C    14.4210  -20.5814
            56  C8x C    14.4210  -21.9815
            57  C8x C    15.6111  -22.6816
            58  C8x C    16.8012  -21.9815
            59  C8x C    16.8012  -20.5814
            60  C1b C    20.4414  -19.8814
            61  C1b C    25.3418  -18.4813
            62  C1b C    26.5319  -17.7812
            63  C1b C    27.7920  -18.4813
            64  C1b C    28.9820  -17.7812
            65  N1a N    30.1721  -18.4813
            66  C8y C     9.5907  -13.5810
            67  C8x C     9.5907  -12.1809
            68  C8x C     8.3306  -11.4808
            69  C8x C     7.1405  -12.1809
            70  C8x C     7.1405  -13.5810
            71  C8x C     8.3306  -14.2810
            72  X   Cl    8.4700  -19.8800
            73  X   Cl    8.4700  -21.7000
BOND        75
            1    36  38 1
            2    12  13 1
            3    35  39 2
            4    21  24 1
            5    37  40 1
            6     6   1 2
            7    16  41 1
            8    41  42 2
            9    41  43 1
            10   43  44 1
            11    6   7 1
            12   44  45 1
            13    7   8 1
            14   44  46 1
            15    8   9 2
            16   46  47 1
            17    9   1 1
            18   45  48 1
            19    1   2 1
            20   45  49 1
            21    2   3 2
            22   10  50 1
            23    3   4 1
            24   50  51 1
            25    4   5 2
            26   50  52 2
            27    5   6 1
            28   51  53 1
            29   16  17 1
            30   51  54 1
            31   24  25 1
            32   24  26 1
            33   11  18 1
            34   23  27 1
            35   13  14 1
            36   40  55 2
            37   55  56 1
            38   56  57 2
            39   57  58 1
            40   58  59 2
            41   59  40 1
            42   27  28 1
            43   32  60 1
            44   60   9 1
            45   18  19 2
            46   28  61 1
            47   27  29 2
            48   61  62 1
            49   18  38 1
            50   62  63 1
            51   28  30 1
            52   63  64 1
            53   11  12 1
            54   64  65 1
            55   30  31 1
            56   54  66 1
            57   17  20 1
            58   31  32 1
            59   14  15 1
            60   31  33 2
            61   20  21 1
            62   66  67 2
            63   67  68 1
            64   68  69 2
            65   69  70 1
            66   70  71 2
            67   71  66 1
            68   32  34 1
            69   10  11 1
            70   34  35 1
            71   20  22 2
            72   35  36 1
            73   15  16 1
            74   36  37 1
            75   21  23 1

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