KEGG   DRUG: Bradanicline hydrochlorideHelp
Entry
D10693                      Drug                                   

Name
Bradanicline hydrochloride (USAN)
Formula
C22H23N3O2. HCl
Exact mass
397.1557
Mol weight
397.8979
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01849
Efficacy
Dementia therapeutic agent, Nicotinic acetylcholine receptor agonist
Comment
Cognitive and memory enhancement
Target
CHRNA7 [HSA:1139] [KO:K04809]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa05033  Nicotine addiction
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Acetylcholine (nicotinic)
    CHRNA7
     D10693  Bradanicline hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 1111941-90-2
PubChem: 254741654
ChEMBL: CHEMBL3137311
KCF data Show

ATOM        28
            1   C8y C    17.5000  -19.1100
            2   C8y C    18.2000  -20.3700
            3   C8x C    16.0300  -19.1100
            4   C8x C    15.4000  -20.3700
            5   C8x C    16.0300  -21.6300
            6   C8x C    17.5000  -21.6300
            7   C8x C    19.5300  -20.0900
            8   C8y C    19.7400  -18.6200
            9   O2x O    18.4800  -17.9900
            10  C5a C    20.9300  -17.8500
            11  O5a O    20.9300  -16.5200
            12  N1b N    22.1900  -18.6200
            13  C1x C    24.9200  -16.2400
            14  C1y C    24.0100  -16.8700
            15  C1y C    23.3100  -17.9200
            16  N1y N    25.5500  -16.5900
            17  C1x C    26.6000  -17.2200
            18  C1y C    24.9200  -17.5000
            19  C1x C    26.1100  -18.0600
            20  C1x C    25.5500  -14.9100
            21  C1b C    22.8200  -15.9600
            22  C8y C    22.8200  -14.5600
            23  C8x C    24.0800  -13.8600
            24  N5x N    24.0800  -12.5300
            25  C8x C    22.8900  -11.8300
            26  C8x C    21.6300  -12.5300
            27  C8x C    21.6300  -13.9300
            28  X   Cl   28.9100  -16.5900
BOND        31
            1     1   2 1
            2     1   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     2   6 2
            7     2   7 1
            8     7   8 2
            9     8   9 1
            10    1   9 1
            11    8  10 1
            12   10  11 2
            13   10  12 1
            14   14  15 1
            15   14  16 1
            16   16  17 1
            17   15  18 1
            18   17  19 1
            19   18  19 1
            20   13  18 1
            21   16  20 1
            22   20  13 1
            23   15  12 1 #Up
            24   14  21 1 #Down
            25   21  22 1
            26   22  23 2
            27   23  24 1
            28   24  25 2
            29   25  26 1
            30   26  27 2
            31   22  27 1

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