KEGG   DRUG: FlopropioneHelp
Entry
D01259                      Drug                                   

Name
Flopropione (JP17/INN);
Ephtanon (TN)
Formula
C9H10O4
Exact mass
182.0579
Mol weight
182.1733
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01497  Catechol O-methyltransferase inhibitor
Remark
Therapeutic category: 1249
Product: D01259<JP>
Efficacy
Antispasmodic, Cathechol-O-methyltransferase (COMT) inhibitor
Target
COMT [HSA:1312] [KO:K00545]
  Pathway
hsa00140  Steroid hormone biosynthesis
hsa00350  Tyrosine metabolism
hsa04728  Dopaminergic synapse
Structure map
map07216  Catecholamine transferase inhibitors
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  12  Agents affecting peripheral nervous system
   124  Antispasmodics
    1249  Others
     D01259  Flopropione (JP17/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Methyltransferases
    COMT
     D01259  Flopropione (JP17/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01259  Flopropione
  D01259  Flopropione capsules
Drug classes of therapeutic agents [br08360.html]
 Gastrointestinal agents
  D01259
BRITE hierarchy
Other DBs
CAS: 2295-58-1
PubChem: 7848322
ChEBI: 31614
ChEMBL: CHEMBL1605835
LigandBox: D01259
NIKKAJI: J3.704D
LinkDB All DBs
KCF data Show

ATOM        13
            1   C8y C    21.6504  -17.4084
            2   C8x C    21.6504  -18.8086
            3   C8y C    22.8659  -19.5087
            4   C8x C    24.0743  -18.8086
            5   C8y C    24.0743  -17.4084
            6   C8y C    22.8659  -16.7083
            7   O1a O    20.4382  -16.7077
            8   O1a O    25.2874  -16.7092
            9   O1a O    22.8676  -20.9088
            10  C5a C    22.8676  -15.3082
            11  C1b C    24.0811  -14.6096
            12  O5a O    21.6560  -14.6066
            13  C1a C    25.2929  -15.3112
BOND        13
            1     1   7 1
            2     1   2 2
            3     5   8 1
            4     2   3 1
            5     3   9 1
            6     3   4 2
            7     6  10 1
            8     4   5 1
            9    10  11 1
            10    5   6 2
            11   10  12 2
            12    6   1 1
            13   11  13 1

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