KEGG   DRUG: Idalopirdine hydrochloride
Entry
D10747                      Drug                                   
Name
Idalopirdine hydrochloride (JAN)
Formula
C20H19F5N2O. HCl
Exact mass
434.1184
Mol weight
434.83
Structure
Simcomp
Remark
Chemical structure group: DG01878
Efficacy
Antipsychotic, Dementia therapeutic agent, Serotonin 5-HT6 receptor antagonist
Target
HTR6 [HSA:3362] [KO:K04162]
  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
     D10747  Idalopirdine hydrochloride (JAN)
Other DBs
CAS: 467458-02-2
PubChem: 254816289
LinkDB
KCF data

ATOM        29
            1   C8y C    20.1516  -15.7281
            2   C8x C    20.1516  -14.3238
            3   C8x C    21.3452  -13.6217
            4   C8x C    22.5389  -14.3238
            5   C8y C    22.5389  -15.7281
            6   C8x C    21.3452  -16.4303
            7   C1b C    18.8877  -16.4303
            8   N1b N    17.7643  -15.7281
            9   C1b C    16.5707  -16.4303
            10  C1b C    15.3770  -15.7281
            11  C8y C    14.2536  -16.4303
            12  C8x C    14.2536  -17.7643
            13  N4x N    12.9196  -18.1154
            14  C8y C    12.0770  -17.0622
            15  C8y C    12.9196  -16.0090
            16  C8x C    10.6727  -16.9218
            17  C8y C    10.1110  -15.6579
            18  C8x C    10.9536  -14.5345
            19  C8x C    12.3579  -14.6749
            20  X   F     8.7067  -15.5175
            21  O2a O    23.7325  -16.4303
            22  C1b C    24.9963  -15.7281
            23  C1d C    26.2019  -16.4508
            24  C1c C    27.4092  -15.7799
            25  X   F    28.6188  -16.5052
            26  X   F    27.4320  -14.3500
            27  X   F    25.5019  -17.6633
            28  X   F    26.9019  -17.6633
            29  X   Cl   20.6500  -19.0400
BOND        30
            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     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   11  15 1
            17   14  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   15  19 2
            22   17  20 1
            23    5  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   24  26 1
            29   23  27 1
            30   23  28 1

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