KEGG   DRUG: Xanomeline tartrateHelp
Entry
D06331                      Drug                                   

Name
Xanomeline tartrate (USAN)
Formula
C14H23N3OS. C4H6O6
Exact mass
431.1726
Mol weight
431.5038
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Neuropsychiatric agent
 DG01490  Muscarinic cholinergic receptor agonist
Remark
Chemical group: 
Activity
Dementia therapeutic agent, Muscarinic acetylcholine receptor agonist
Comment
Alzheimer's disease treatment
Target
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
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 M2
     Xanomeline
      D06331  Xanomeline tartrate (USAN)
    muscarinic cholinergic receptor M3
     Xanomeline
      D06331  Xanomeline tartrate (USAN)
    muscarinic cholinergic receptor M4
     Xanomeline
      D06331  Xanomeline tartrate (USAN)
    muscarinic cholinergic receptor M5
     Xanomeline
      D06331  Xanomeline tartrate (USAN)
   Serotonin
    5-HT1A-receptor
     Xanomeline
      D06331  Xanomeline tartrate (USAN)
    5-HT1B-receptor
     Xanomeline
      D06331  Xanomeline tartrate (USAN)
    5-HT1D-receptor
     Xanomeline
      D06331  Xanomeline tartrate (USAN)
    5-HT1E-receptor
     Xanomeline
      D06331  Xanomeline tartrate (USAN)
    5-HT1F-receptor
     Xanomeline
      D06331  Xanomeline tartrate (USAN)
    5-HT2A-receptor
     Xanomeline
      D06331  Xanomeline tartrate (USAN)
    5-HT2B-receptor
     Xanomeline
      D06331  Xanomeline tartrate (USAN)
    5-HT2C-receptor
     Xanomeline
      D06331  Xanomeline tartrate (USAN)
    5-HT6-receptor
     Xanomeline
      D06331  Xanomeline tartrate (USAN)
    5-HT7-receptor
     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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