KEGG   DRUG: XanomelineHelp
Entry
D06330                      Drug                                   

Name
Xanomeline (USAN)
Formula
C14H23N3OS
Exact mass
281.1562
Mol weight
281.4169
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01490  Muscarinic cholinergic receptor agonist
Remark
Same as: C11767
Chemical structure group: DG01300
Efficacy
Dementia therapeutic agent, Muscarinic acetylcholine receptor agonist
Comment
Alzheimer's disease treatment
Target
CHRM1 [HSA:1128] [KO:K04129]
CHRM4 [HSA:1132] [KO:K04132]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
Interaction
Drug interaction
Structure map
map07220  Cholinergic and anticholinergic drugs
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM1
     D06330  Xanomeline (USAN)
    CHRM4
     D06330  Xanomeline (USAN)
BRITE hierarchy
Other DBs
CAS: 131986-45-3
PubChem: 47207987
ChEBI: 10056
ChEMBL: CHEMBL21536
LigandBox: D06330
NIKKAJI: J489.337I
LinkDB All DBs
KCF data Show

ATOM        19
            1   N1y N    13.2218  -16.0130
            2   C1x C    13.2218  -17.4120
            3   C1x C    14.4333  -18.1115
            4   C2x C    15.6449  -17.4120
            5   C2y C    15.6449  -16.0130
            6   C1x C    14.4333  -15.3136
            7   C1a C    12.0102  -15.3136
            8   C8y C    16.8751  -15.3026
            9   C8y C    18.0123  -16.1056
            10  N5x N    19.1238  -15.2729
            11  S2x S    18.6753  -13.9585
            12  N5x N    17.2867  -13.9789
            13  O2a O    17.9612  -17.4810
            14  C1b C    19.1587  -18.2331
            15  C1b C    20.3945  -17.5795
            16  C1b C    21.5891  -18.3302
            17  C1b C    22.8504  -17.6636
            18  C1b C    24.0654  -18.4265
            19  C1a C    25.2866  -17.7812
BOND        20
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     5   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 1
            13    8  12 2
            14    9  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1

» Japanese version   » Back

DBGET integrated database retrieval system