KEGG   DRUG: D01538Help
Entry
D01538                      Drug                                   

Name
Valethamate bromide (JAN);
Shinmetane (TN)
Formula
C19H32NO2. Br
Exact mass
385.1616
Mol weight
386.3669
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Drug group: 
Target
muscarinic cholinergic receptor antagonist [HSA:1128 1129 1131 1132 1133] [KO:K04129 K04130 K04131 K04132 K04133]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa04970  Salivary secretion
hsa04971  Gastric acid secretion  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    muscarinic cholinergic receptor
     Valethamate
      D01538  Valethamate bromide (JAN)
BRITE hierarchy
Other DBs
CAS: 
90-22-2
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        23
            1   X   Br   14.8400  -22.4000 #-
            2   C1a C    11.4800  -21.0000
            3   C1b C    12.6924  -20.3000
            4   N1d N    13.9049  -21.0000 #+
            5   C1b C    15.1173  -20.3000
            6   C1b C    16.3297  -21.0000
            7   O7a O    17.5422  -20.3000
            8   C7a C    18.7546  -21.0000
            9   C1c C    19.9670  -20.3000
            10  C8y C    21.1795  -21.0000
            11  C8x C    22.3919  -20.3000
            12  C8x C    23.6044  -21.0000
            13  C8x C    21.1795  -22.4000
            14  C8x C    22.3919  -23.1000
            15  C8x C    23.6044  -22.4000
            16  C1c C    19.9670  -18.9001
            17  C1a C    18.7418  -18.1926
            18  C1b C    21.1667  -18.2074
            19  C1a C    21.1669  -16.8003
            20  O6a O    18.7546  -22.4000
            21  C1b C    13.9049  -22.4000
            22  C1a C    12.6925  -23.1000
            23  C1a C    13.9049  -19.6000
BOND        22
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     9  10 1
            9    10  11 2
            10   11  12 1
            11   10  13 1
            12   13  14 2
            13   14  15 1
            14   15  12 2
            15    9  16 1
            16   16  17 1
            17   16  18 1
            18   18  19 1
            19    8  20 2
            20    4  21 1
            21   21  22 1
            22    4  23 1

» Japanese version   » Back

DBGET integrated database retrieval system