KEGG   DRUG: CerlapirdineHelp
Entry
D10099                      Drug                                   

Name
Cerlapirdine (USAN)
Formula
C22H23N3O3S
Exact mass
409.146
Mol weight
409.5013
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01337
Efficacy
Dementia therapeutic agent, Serotonin 5-HT6 receptor antagonist
Comment
Treatment of Alzheimer's disease
Target
HTR6 [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
    HTR6
     D10099  Cerlapirdine (USAN)
BRITE hierarchy
Other DBs
CAS: 925448-93-7
PubChem: 135626817
ChEMBL: CHEMBL2103880
LigandBox: D10099
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8x C    16.7300  -17.6400
            2   C8y C    16.7300  -19.0400
            3   C8x C    17.9424  -19.7400
            4   C8y C    19.1549  -19.0400
            5   C8y C    19.1549  -17.6400
            6   C8x C    17.9424  -16.9400
            7   C8y C    20.4864  -19.4726
            8   N5x N    21.3093  -18.3400
            9   N4x N    20.4864  -17.2074
            10  O2a O    15.5176  -19.7400
            11  C1b C    14.3221  -19.0496
            12  C1b C    13.1347  -19.7351
            13  C1b C    11.9435  -19.0471
            14  N1c N    10.7540  -19.7338
            15  C1a C     9.5639  -19.0465
            16  C1a C    10.7538  -21.1398
            17  S4a S    20.9175  -20.7994
            18  C8y C    22.3175  -20.7994
            19  C8y C    23.0166  -22.0101
            20  C8y C    24.4166  -22.0101
            21  C8x C    25.1166  -20.7976
            22  C8x C    24.4175  -19.5869
            23  C8x C    23.0175  -19.5869
            24  C8x C    22.3166  -23.2225
            25  C8x C    23.0166  -24.4350
            26  C8x C    24.4166  -24.4349
            27  C8x C    25.1166  -23.2225
            28  O3c O    19.5175  -20.7994
            29  O3c O    21.2799  -22.1517
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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