KEGG   DRUG: D10100Help
Entry
D10100                      Drug                                   

Name
Cerlapirdine hydrochloride (USAN)
Formula
C22H23N3O3S. HCl
Exact mass
445.1227
Mol weight
445.9623
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of Alzheimer's disease
Remark
Drug group: 
Target
5-HT6-receptor antagonist [HSA:3362] [KO:K04162]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    5-HT6-receptor
     Cerlapirdine
      D10100  Cerlapirdine hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
925447-04-7
PubChem: 
LigandBox: 
KCF data Show

ATOM        30
            1   C8x C    23.9400  -18.1300
            2   C8y C    23.9400  -19.5300
            3   C8x C    25.1300  -20.2300
            4   C8y C    26.3200  -19.5300
            5   C8y C    26.3200  -18.1300
            6   C8x C    25.1300  -17.4300
            7   C8y C    27.6500  -19.9500
            8   N5x N    28.4900  -18.8300
            9   N4x N    27.6500  -17.7100
            10  O2a O    22.6800  -20.2300
            11  C1b C    21.4900  -19.5300
            12  C1b C    20.3000  -20.2300
            13  C1b C    19.1100  -19.5300
            14  N1c N    17.9200  -20.2300
            15  C1a C    16.7300  -19.5300
            16  C1a C    17.9200  -21.6300
            17  S4a S    28.1400  -21.2800
            18  C8y C    29.5400  -21.2800
            19  C8y C    30.2400  -22.4700
            20  C8y C    31.6400  -22.4700
            21  C8x C    32.3400  -21.2800
            22  C8x C    31.6400  -20.0900
            23  C8x C    30.2400  -20.0900
            24  C8x C    29.5400  -23.7300
            25  C8x C    30.2400  -24.9200
            26  C8x C    31.6400  -24.9200
            27  C8x C    32.3400  -23.7300
            28  O3c O    26.7400  -21.2800
            29  O3c O    28.4900  -22.6100
            30  X   Cl   31.5700  -18.0600
BOND        32
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    2  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   14  16 1
            18    7  17 1
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   19  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   20  27 1
            31   17  28 2
            32   17  29 2

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