KEGG   DRUG: MethyldopaHelp
Entry
D00405                      Drug                                   

Name
Methyldopa (USP);
Methyldopa hydrate (JP17);
Aldomet (TN)
Product
  Generic
Formula
(C10H13NO4)2. 3H2O
Exact mass
476.2006
Mol weight
476.4749
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01738  Centrally-acting antiadrenergic
 DG01456  Adrenergic receptor agonist
  DG01450  alpha-Adrenergic receptor agonist
   DG01449  alpha2-Adrenergic receptor agonist
    DG01655  alpha2-adrenergic receptor specific agonist
 DG01951  Catecholamine adrenergic receptor agonist
Other
 DG01617  Catecholamine synthesis inhibitors
Remark
Therapeutic category: 2145
ATC code: C02AB01
Chemical structure group: DG00248
Product (DG00248): D00405<JP/US>
Product (mixture): D10267<US>
Efficacy
Antihypertensive, alpha2-Adrenergic receptor agonist
  Disease
Hypertension [DS:H01633]
Comment
Dopamine derivative
Methyldopa is metabolited to alpha-Methylnorepinephrine which is agonist of alpha2 receptor.
Peripheral aromatic L-amino acid decarboxylase inhibitors (DCI)
Target
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
  Pathway
hsa04022  cGMP-PKG signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C02 ANTIHYPERTENSIVES
   C02A ANTIADRENERGIC AGENTS, CENTRALLY ACTING
    C02AB Methyldopa
     C02AB01 Methyldopa (levorotatory)
      D00405  Methyldopa (USP) <JP/US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Alpha-adrenergic Agonists
   Methyldopa
    D00405  Methyldopa (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   214  Antihypertensives
    2145  Methyldopas
     D00405  Methyldopa (USP); Methyldopa hydrate (JP17)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA2
     D00405  Methyldopa (USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00405  Methyldopa hydrate
  D00405  Methyldopa tablets
Drug classes of therapeutic agents [br08360.html]
 Cardiovascular agents
  D00405
BRITE hierarchy
Other DBs
CAS: 41372-08-1
PubChem: 7847471
ChEMBL: CHEMBL1591707
DrugBank: DB00968
LigandBox: D00405
NIKKAJI: J244.493C
LinkDB All DBs
KCF data Show

ATOM        33
            1   C1d C    25.1300  -15.7500
            2   C6a C    26.3200  -15.0500
            3   C1b C    23.9400  -15.0500
            4   C1a C    24.6400  -17.1500
            5   N1a N    26.1100  -17.1500
            6   O6a O    27.5100  -15.7500
            7   O6a O    26.3200  -13.7200
            8   C8y C    22.7500  -15.7500
            9   C8x C    21.5600  -15.0500
            10  C8x C    22.7500  -17.1500
            11  C8y C    20.3700  -15.7500
            12  C8x C    21.5600  -17.7800
            13  C8y C    20.3700  -17.1500
            14  O1a O    19.1800  -15.0500
            15  O1a O    19.1800  -17.7800
            16  O0  O    32.5500  -15.9600
            17  C1d C    25.1300  -15.7500
            18  C6a C    26.3200  -15.0500
            19  O6a O    27.5100  -15.7500
            20  O6a O    26.3200  -13.7200
            21  C1b C    23.9400  -15.0500
            22  C8y C    22.7500  -15.7500
            23  C8x C    21.5600  -15.0500
            24  C8y C    20.3700  -15.7500
            25  C8y C    20.3700  -17.1500
            26  O1a O    19.1800  -17.7800
            27  C8x C    21.5600  -17.7800
            28  C8x C    22.7500  -17.1500
            29  O1a O    19.1800  -15.0500
            30  C1a C    24.6400  -17.1500
            31  N1a N    26.1100  -17.1500
            32  O0  O    32.5500  -15.9600
            33  O0  O    32.5500  -15.9600
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     8   9 1
            9     8  10 2
            10    9  11 2
            11   10  12 1
            12   11  13 1
            13   11  14 1
            14   13  15 1
            15   12  13 2
            16   17  18 1
            17   17  21 1
            18   17  30 1 #Down
            19   17  31 1 #Up
            20   18  19 1
            21   18  20 2
            22   21  22 1
            23   22  23 1
            24   22  28 2
            25   23  24 2
            26   28  27 1
            27   24  25 1
            28   24  29 1
            29   25  26 1
            30   27  25 2
BRACKET     1    17.9900  -18.8300   17.9900  -12.8100
            1    28.7000  -12.8100   28.7000  -18.8300
            1  2
 ORIGINAL  1    1   2   6   7   3   8   9  11  13  15  12  10  14   4   5
 REPEAT    1   17  18  19  20  21  22  23  24  25  26  27  28  29  30  31
            2    30.8000  -16.8700   30.8000  -15.0500
            2    32.9700  -15.0500   32.9700  -16.8700
            2  3
 ORIGINAL  2   16
 REPEAT    2   32  33

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