KEGG   DRUG: Adinazolam mesylate
Entry
D02771                      Drug                                   
Name
Adinazolam mesylate (USAN)
Formula
C19H18ClN5. CH4SO3
Exact mass
447.1132
Mol weight
447.94
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01914  Anxiolytics, benzodiazepine derivatives
Remark
ATC code: N05BA07
Chemical structure group: DG00911
Efficacy
Antidepressant
Comment
Benzodiazepine derivative
Target
GABR [HSA:2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 55879] [KO:K05175 K05181 K05184 K05185 K05186 K05189 K05192]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05B ANXIOLYTICS
    N05BA Benzodiazepine derivatives
     N05BA07 Adinazolam
      D02771  Adinazolam mesylate (USAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01914  Anxiolytics, benzodiazepine derivatives
   DG00911  Adinazolam
    D02771  Adinazolam mesylate
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D02771  Adinazolam mesylate (USAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01914  Anxiolytics, benzodiazepine derivatives
   DG00911  Adinazolam
Other DBs
CAS: 57938-82-6
PubChem: 17396929
LigandBox: D02771
NIKKAJI: J367.749D
LinkDB
KCF data

ATOM        30
            1   C1a C    27.3163  -19.5660
            2   S4a S    28.7210  -19.5660
            3   O1d O    30.1257  -19.5660
            4   O1d O    28.7210  -18.1613
            5   O1d O    28.7210  -20.9708
            6   C2y C    23.7277  -17.7708
            7   C8y C    22.8767  -16.6694
            8   C8y C    23.1999  -15.3109
            9   N4y N    24.4549  -14.7225
            10  N2x N    25.1325  -17.7839
            11  C8y C    25.7128  -15.3334
            12  C1x C    26.0108  -16.6985
            13  C8x C    22.1853  -14.3521
            14  C8x C    20.8477  -14.7514
            15  C8y C    20.5246  -16.1100
            16  C8x C    21.5392  -17.0687
            17  C8y C    23.0942  -19.0449
            18  C8x C    21.6712  -19.0629
            19  C8x C    21.0491  -20.3825
            20  C8x C    21.8204  -21.5460
            21  C8x C    23.2452  -21.5277
            22  C8x C    23.8655  -20.2084
            23  N5x N    26.6825  -14.3258
            24  N5x N    26.0239  -13.0922
            25  C8y C    24.6471  -13.3373
            26  C1b C    23.6403  -12.3683
            27  N1c N    22.2449  -12.4028
            28  C1a C    21.5211  -11.2176
            29  C1a C    21.5873  -13.6103
            30  X   Cl   19.2032  -16.5048
BOND        32
            1     1   2 1
            2     2   3 1
            3     2   4 2
            4     2   5 2
            5     8   9 1
            6     6  10 2
            7     9  11 1
            8     7   8 1
            9    10  12 1
            10    6   7 1
            11   11  12 1
            12    8  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16    7  16 2
            17    6  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   17  22 1
            24   11  23 2
            25   23  24 1
            26   24  25 2
            27    9  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 1
            32   15  30 1

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