KEGG   DRUG: D06331Help
Entry
D06331                      Drug                                   

Name
Xanomeline tartrate (USAN)
Formula
C14H23N3OS. C4H6O6
Exact mass
431.1726
Mol weight
431.5038
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Alzheimer's disease treatment [cholinergic agent]
Target
muscarinic cholinergic receptor M1, M4 agonist [HSA:1128 1132] [KO:K04129 K04132]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse  
 
Interaction
Drug interaction
Structure map
Cholinergic and anticholinergic drugs
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    muscarinic cholinergic receptor M1 [HSA:1128] [KO:K04129]
     Xanomeline
      D06331  Xanomeline tartrate (USAN)
    muscarinic cholinergic receptor M4 [HSA:1132] [KO:K04132]
     Xanomeline
      D06331  Xanomeline tartrate (USAN)
BRITE hierarchy
Other DBs
CAS: 
152854-19-8
PubChem: 
LigandBox: 
KCF data Show

ATOM        29
            1   C8y C     9.8754   -8.0530
            2   C8y C    11.2760   -8.0530
            3   N5x N    11.7087   -6.7209
            4   S2x S    10.5757   -5.8977
            5   N5x N     9.4426   -6.7209
            6   O2a O     9.1751   -9.2659
            7   C2y C    11.9762   -9.2659
            8   C1x C    11.9762  -10.6664
            9   N1y N    13.1891  -11.3667
            10  C1x C    14.4021  -10.6664
            11  C1x C    14.4021   -9.2659
            12  C2x C    13.1891   -8.5656
            13  C1b C     7.9622   -8.5432
            14  C1b C     6.7492   -9.2434
            15  C1b C     5.5363   -8.5432
            16  C1b C     4.3235   -9.2434
            17  C1b C     3.1105   -8.5432
            18  C1a C     1.8976   -9.2434
            19  C1a C    13.1888  -12.7447
            20  O6a O    16.6131   -8.6806
            21  C6a C    17.8256   -9.3806
            22  C1c C    19.0381   -8.6806
            23  C1c C    20.2505   -9.3806
            24  C6a C    21.4631   -8.6806
            25  O6a O    22.6755   -9.3806
            26  O6a O    17.8256  -10.7805
            27  O1a O    19.0381   -7.2805
            28  O1a O    20.2505  -10.7806
            29  O6a O    21.4631   -7.2808
BOND        29
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     1   6 1
            7     2   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  12 2
            14    6  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20    9  19 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   21  26 2
            27   22  27 1 #Down
            28   23  28 1 #Down
            29   24  29 2

» Japanese version   » Back

DBGET integrated database retrieval system