KEGG   DRUG: Midazolam maleateHelp
Entry
D05028                      Drug                                   

Name
Midazolam maleate (USAN)
Formula
C18H13ClFN3. C4H4O4
Exact mass
441.0892
Mol weight
441.8395
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Neuropsychiatric agent
 DG01835  Benzodiazepine sedative-hypnotics
 DG01567  GABA-A receptor agonist
Cyp substrate
 DG01633  CYP3A substrate
Remark
ATC code: 
Chemical group: 
Activity
Anesthetic (intravenous), Sedative-hypnotic
Comment
Benzodiazepines
Target
GABRA/GABRB/GABRD/GABRE/GABRG/GABRP/GABRQ [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
Neuroactive ligand-receptor interaction
GABAergic synapse
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551], CYP4B1 [HSA:1580]
Interaction
Drug interaction
Structure map
Hypnotics
GABA-A receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05C HYPNOTICS AND SEDATIVES
    N05CD Benzodiazepine derivatives
     N05CD08 Midazolam
      D05028  Midazolam maleate (USAN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Cys-loop superfamily
   GABA-A
    GABAA-receptor (benzodiazepine binding site)
     Midazolam
      D05028  Midazolam maleate (USAN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP3A4
   Midazolam
    D05028  Midazolam maleate (USAN)
  CYP3A5
   Midazolam
    D05028  Midazolam maleate (USAN)
  CYP3A7
   Midazolam
    D05028  Midazolam maleate (USAN)
  CYP3A
   Midazolam
    D05028  Midazolam maleate (USAN)
  CYP4B1
   Midazolam
    D05028  Midazolam maleate (USAN)
BRITE hierarchy
Other DBs
CAS: 
59467-94-6
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        31
            1   C2b C    37.5334  -17.1234
            2   C2b C    35.7293  -17.1234
            3   C6a C    35.1048  -18.3029
            4   C6a C    38.2272  -18.3029
            5   O6a O    35.7293  -19.4825
            6   O6a O    37.5334  -19.4825
            7   O6a O    39.6149  -18.3029
            8   O6a O    33.7865  -18.3029
            9   C2y C    28.8459  -18.7122
            10  C8y C    28.0032  -17.6018
            11  C8y C    28.3386  -16.2440
            12  N4y N    29.6006  -15.6654
            13  N2x N    30.2528  -18.6675
            14  C8y C    30.8551  -16.2882
            15  C1x C    31.1418  -17.6579
            16  C8x C    27.3308  -15.2749
            17  C8x C    25.9878  -15.6632
            18  C8y C    25.6523  -17.0211
            19  C8x C    26.6602  -17.9899
            20  X   Cl   24.2865  -17.4158
            21  C8y C    28.2109  -19.9629
            22  C8x C    26.8083  -19.9629
            23  C8x C    26.1077  -21.1763
            24  C8x C    26.8083  -22.3896
            25  C8x C    28.2109  -22.3896
            26  C8y C    28.9115  -21.1763
            27  X   F    30.3234  -21.1764
            28  C8x C    31.8352  -15.2876
            29  N5x N    31.1863  -14.0463
            30  C8y C    29.8052  -14.2799
            31  C1a C    28.8236  -13.3182
BOND        33
            1     1   2 2
            2     2   3 1
            3     1   4 1
            4     3   5 2
            5     4   6 1
            6     4   7 2
            7     3   8 1
            8    11  12 1
            9     9  13 2
            10   12  14 1
            11   10  11 1
            12   13  15 1
            13    9  10 1
            14   14  15 1
            15   11  16 2
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   10  19 2
            20   18  20 1
            21    9  21 1
            22   21  22 1
            23   22  23 2
            24   23  24 1
            25   24  25 2
            26   25  26 1
            27   21  26 2
            28   26  27 1
            29   14  28 2
            30   28  29 1
            31   29  30 2
            32   12  30 1
            33   30  31 1

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