KEGG   DRUG: Bavisant
Entry
D09870                      Drug                                   

Name
Bavisant (USAN/INN)
Formula
C19H27N3O2
Exact mass
329.2103
Mol weight
329.4366
Structure
Simcomp
Remark
Chemical structure group: DG02043
Efficacy
Nootropic, H3 receptor antagonist
Comment
Treatment of disorders of cognition and wakefulness
Target
HRH3 [HSA:11255] [KO:K04151]
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH3
     D09870  Bavisant (USAN/INN)
Other DBs
CAS: 929622-08-2
PubChem: 135626625
ChEMBL: CHEMBL2103862
LigandBox: D09870
LinkDB
KCF data

ATOM        24
            1   O2x O    12.2500  -23.5900
            2   C1x C    12.2500  -24.9900
            3   C1x C    13.4400  -25.6900
            4   N1y N    14.7000  -24.9900
            5   C1x C    14.7000  -23.5900
            6   C1x C    13.4400  -22.8900
            7   C1b C    15.8900  -25.6900
            8   C8y C    17.0800  -24.9900
            9   C8x C    18.2700  -25.6900
            10  C8x C    19.5300  -24.9900
            11  C8y C    19.5300  -23.5900
            12  C8x C    18.3400  -22.8900
            13  C8x C    17.0800  -23.5900
            14  C5a C    20.7200  -22.8900
            15  N1y N    21.9100  -23.5900
            16  C1x C    21.9100  -24.9900
            17  C1x C    23.1700  -25.6900
            18  N1y N    24.3600  -24.9900
            19  C1x C    24.3600  -23.5900
            20  C1x C    23.1700  -22.8900
            21  C1y C    25.5500  -25.6900
            22  C1x C    26.9500  -25.6900
            23  C1x C    26.2500  -26.8800
            24  O5a O    20.7200  -21.4900
BOND        27
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15   11  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   15  20 1
            23   18  21 1
            24   21  22 1
            25   22  23 1
            26   21  23 1
            27   14  24 2

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