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]
Remark
Drug group: 
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
     Xanomeline
      D06331  Xanomeline tartrate (USAN)
    muscarinic cholinergic receptor M4
     Xanomeline
      D06331  Xanomeline tartrate (USAN)
BRITE hierarchy
Other DBs
CAS: 
152854-19-8
PubChem: 
LigandBox: 
KCF data Show

ATOM        29
            1   O6a O    19.6232  -16.3806
            2   C6a C    20.8357  -17.0806
            3   C1c C    22.0482  -16.3806
            4   C1c C    23.2606  -17.0806
            5   C6a C    24.4732  -16.3806
            6   O6a O    25.6856  -17.0806
            7   O6a O    20.8357  -18.4805
            8   O1a O    22.0482  -14.9805
            9   O1a O    23.2606  -18.4806
            10  O6a O    24.4732  -14.9808
            11  N1y N     5.0400  -16.7300
            12  C1x C     5.0400  -18.1300
            13  C1x C     6.2300  -18.8300
            14  C2x C     7.4200  -18.1300
            15  C2y C     7.4200  -16.7300
            16  C1x C     6.2300  -16.0300
            17  C1a C     3.8500  -16.0300
            18  C8y C     8.6800  -16.0300
            19  C8y C     9.8000  -16.8000
            20  N5x N    10.9200  -15.9600
            21  S2x S    10.5000  -14.7000
            22  N5x N     9.1000  -14.7000
            23  O2a O     9.8000  -18.2000
            24  C1b C    10.9900  -18.9000
            25  C1b C    12.1800  -18.2700
            26  C1b C    13.3700  -19.0400
            27  C1b C    14.6300  -18.3400
            28  C1b C    15.8900  -19.1100
            29  C1a C    17.0800  -18.4800
BOND        29
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     2   7 2
            7     3   8 1 #Down
            8     4   9 1 #Down
            9     5  10 2
            10   11  12 1
            11   12  13 1
            12   13  14 1
            13   14  15 2
            14   15  16 1
            15   11  16 1
            16   11  17 1
            17   15  18 1
            18   18  19 1
            19   19  20 2
            20   20  21 1
            21   21  22 1
            22   18  22 2
            23   19  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1

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