KEGG   DRUG: Loxiglumide
Entry
D01113                      Drug                                   
Name
Loxiglumide (JAN/INN)
Formula
C21H30Cl2N2O5
Exact mass
460.1532
Mol weight
461.3793
Structure
Efficacy
Anti-ulcerative, Cholecystokinin receptor antagonist
Target
CCKAR [HSA:886] [KO:K04194]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04972  Pancreatic secretion
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Cholecystokinin
    CCKAR
     D01113  Loxiglumide (JAN/INN)
Other DBs
CAS: 107097-80-3
PubChem: 7848176
ChEBI: 31785
LigandBox: D01113
NIKKAJI: J327.512D
LinkDB
KCF data

ATOM        30
            1   C1b C    21.2115  -18.0654
            2   C1b C    22.4018  -18.6955
            3   C1b C    23.5920  -17.9953
            4   N1c N    24.8523  -18.6955
            5   C5a C    26.0425  -17.9953
            6   C1c C    27.2328  -18.6955
            7   C1b C    28.4930  -17.9953
            8   C1b C    29.6833  -18.6955
            9   C6a C    30.8735  -17.9953
            10  O6a O    32.0637  -18.6955
            11  C1b C    24.8523  -20.0958
            12  C1b C    23.5920  -20.7959
            13  C1b C    23.5920  -22.1962
            14  O5a O    26.0425  -16.5951
            15  N1b N    27.2328  -20.0958
            16  C5a C    28.4930  -20.7959
            17  C8y C    28.4930  -22.1962
            18  O5a O    29.6833  -20.0958
            19  O6a O    30.8735  -16.5951
            20  C8x C    27.2328  -22.8963
            21  C8y C    27.2328  -24.2966
            22  C8y C    28.4930  -24.9968
            23  C8x C    29.6833  -24.2966
            24  C8x C    29.6833  -22.8963
            25  O2a O    22.3794  -22.8963
            26  C1a C    21.1836  -22.2058
            27  C1b C    20.0254  -18.8095
            28  C1a C    18.7955  -18.1586
            29  X   Cl   28.5102  -26.3899
            30  X   Cl   26.0270  -25.0061
BOND        30
            1     1   2 1
            2    12  13 1
            3     6   7 1
            4     5  14 2
            5     3   4 1
            6     6  15 1
            7     7   8 1
            8    15  16 1
            9    16  17 1
            10    8   9 1
            11   16  18 2
            12    4   5 1
            13    9  19 2
            14    9  10 1
            15    2   3 1
            16    4  11 1
            17    5   6 1
            18   11  12 1
            19   17  20 2
            20   20  21 1
            21   21  22 2
            22   22  23 1
            23   23  24 2
            24   24  17 1
            25   13  25 1
            26   25  26 1
            27    1  27 1
            28   27  28 1
            29   22  29 1
            30   21  30 1

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