KEGG   DRUG: Metyrapone
Entry
D00410                      Drug                                   
Name
Metyrapone (JP18/USP/INN);
Metopirone (TN)
Product
Formula
C14H14N2O
Exact mass
226.1106
Mol weight
226.2738
Structure
Simcomp
Remark
Same as: C07205
Therapeutic category: 2499 7223
ATC code: V04CD01
Chemical structure group: DG01166
Product (DG01166): D00410<JP/US>
Efficacy
Diagnostic aid (pituitary function determination)
Comment
Corticosteroid synthesis inhibitor
For testing hypothalamic-pituitary ACTH function
Target
CYP11B1 [HSA:1584] [KO:K00497]
  Pathway
hsa00140  Steroid hormone biosynthesis
  Network
nt06310  CRH-ACTH-cortisol signaling
nt06360  Cushing syndrome
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V04 DIAGNOSTIC AGENTS
   V04C OTHER DIAGNOSTIC AGENTS
    V04CD Tests for pituitary function
     V04CD01 Metyrapone
      D00410  Metyrapone (JP18/USP/INN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   249  Miscellaneous
    2499  Others
     D00410  Metyrapone (JP18/USP/INN)
 7  Agents not mainly for therapeutic purpose
  72  Intracorporeal diagnostic agents
   722  Various function testing reagents
    7223  Diagnostic reagents for endocrine function
     D00410  Metyrapone (JP18/USP/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Cytochrome P450
    CYP11B1
     D00410  Metyrapone (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00410  Metyrapone
Other DBs
CAS: 54-36-4
PubChem: 7847476
ChEBI: 44241
PDB-CCD: MYT[PDBj]
LigandBox: D00410
NIKKAJI: J1.369B
KCF data

ATOM        17
            1   C8x C    20.8616  -15.2674
            2   N5x N    20.8616  -16.6682
            3   C8x C    22.0747  -17.3686
            4   C8y C    23.2878  -16.6682
            5   C8x C    23.2878  -15.2674
            6   C8x C    22.0747  -14.5670
            7   C5a C    24.5196  -17.3796
            8   C1d C    25.7255  -16.6835
            9   C8y C    26.9085  -17.3667
            10  O5a O    24.5193  -18.7693
            11  C8x C    26.9084  -18.7692
            12  C8x C    28.1214  -19.4697
            13  C8x C    29.3346  -18.7694
            14  N5x N    29.3347  -17.3669
            15  C8x C    28.1216  -16.6664
            16  C1a C    26.7155  -15.6935
            17  C1a C    24.7356  -15.6935
BOND        18
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    7  10 2
            11    9  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16    9  15 1
            17    8  16 1
            18    8  17 1

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