KEGG   DRUG: EnceniclineHelp
Entry
D10626                      Drug                                   

Name
Encenicline (USAN/INN)
Formula
C16H17ClN2OS
Exact mass
320.075
Mol weight
320.837
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01852
Efficacy
Antipsychotic, Nootropic, Nicotinic acetylcholine receptor partial agonist
Comment
Treatment of cognitive disorders
Target
CHRNA7 [HSA:1139] [KO:K04809]
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Acetylcholine (nicotinic)
    CHRNA7
     D10626  Encenicline (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 550999-75-2
PubChem: 254741587
ChEMBL: CHEMBL2151572
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1x C    23.1498  -14.9647
            2   C1y C    21.0774  -18.0400
            3   C8x C    12.7379  -16.1677
            4   C8x C    12.7379  -17.5286
            5   C8x C    13.8947  -18.2090
            6   C8y C    15.0513  -17.5286
            7   C8y C    15.0513  -16.1677
            8   C8y C    13.8947  -15.4873
            9   X   Cl   13.8947  -14.1945
            10  C8x C    16.3457  -17.9491
            11  C8y C    17.0926  -16.9162
            12  C5a C    18.3874  -16.9162
            13  N1b N    19.5440  -18.0730
            14  O5a O    18.9997  -15.6234
            15  S2x S    16.3457  -15.7472
            16  C1x C    21.7459  -16.9489
            17  N1y N    23.1712  -16.4810
            18  C1y C    22.6363  -17.4934
            19  C1x C    24.5298  -17.1495
            20  C1x C    24.1284  -18.2288
            21  C1x C    22.6363  -15.8889
BOND        24
            1     3   4 2
            2     4   5 1
            3     5   6 2
            4     6   7 1
            5     7   8 2
            6     3   8 1
            7     8   9 1
            8     6  10 1
            9    11  12 1
            10   12  13 1
            11   12  14 2
            12   10  11 2
            13   11  15 1
            14    7  15 1
            15    2  13 1 #Up
            16    2  16 1
            17   16  17 1
            18    2  18 1
            19   17  19 1
            20   18  20 1
            21   19  20 1
            22    1  17 1
            23   18  21 1
            24    1  21 1

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