KEGG   DRUG: Eptapirone
Entry
D02576                      Drug                                   
Name
Eptapirone (INN)
Formula
C16H23N7O2
Exact mass
345.1913
Mol weight
345.3995
Structure
Class
Neuropsychiatric agent
 DG01483  5-HT1A-receptor agonist
Efficacy
Antidepressant, Serotonin 5-HT1A receptor agonist
Comment
Buspirone derivative
Target
HTR1A [HSA:3350] [KO:K04153]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Brite
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01483  5-HT1A-receptor agonist
   D02576  Eptapirone
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR1A
     D02576  Eptapirone (INN)
Other DBs
CAS: 179756-85-5
PubChem: 17396747
ChEBI: 177708
LigandBox: D02576
LinkDB
KCF data

ATOM        25
            1   C8y C    28.5117  -14.2214
            2   N4y N    28.5117  -15.6222
            3   C8y C    27.3209  -16.3226
            4   N4y N    26.0602  -15.6222
            5   N5x N    26.0602  -14.2214
            6   C8x C    27.3209  -13.5209
            7   O5x O    29.7024  -13.5209
            8   O5x O    27.3209  -17.7235
            9   C1a C    29.7024  -16.3226
            10  C1b C    24.8694  -16.3226
            11  C1b C    23.6087  -15.6222
            12  C1b C    22.4179  -16.3226
            13  C1b C    21.2272  -15.6222
            14  N1y N    19.9664  -16.3226
            15  C1x C    19.9664  -17.7235
            16  C1x C    18.7757  -18.4239
            17  N1y N    17.5850  -17.7235
            18  C1x C    17.5850  -16.3226
            19  C1x C    18.7757  -15.6222
            20  C8y C    16.3943  -18.4239
            21  N5x N    16.3943  -19.8248
            22  C8x C    15.1335  -20.5252
            23  C8x C    13.9428  -19.8248
            24  C8x C    13.9428  -18.4239
            25  N5x N    15.1335  -17.7235
BOND        27
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 2
            8     3   8 2
            9     2   9 1
            10    4  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   14  19 1
            21   17  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   20  25 1

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