KEGG   DRUG: Gepirone hydrochloride
Entry
D04314                      Drug                                   
Name
Gepirone hydrochloride (USAN);
Exxua (TN)
Product
EXXUA (Fabre Kramer Pharmaceuticals)
Formula
C19H29N5O2. HCl
Exact mass
395.2088
Mol weight
395.93
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01483  5-HT1A-receptor agonist
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
ATC code: N06AX19
Product: D04314<US>
Efficacy
Tranquilizer, Serotonin 5-HT1A receptor agonist
  Disease
Major depressive disorder [DS:H01646]
Comment
Buspirone derivative
Target
HTR1A [HSA:3350] [KO:K04153]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AX Other antidepressants
     N06AX19 Gepirone
      D04314  Gepirone hydrochloride (USAN) <US>
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01483  5-HT1A-receptor agonist
   D04314  Gepirone hydrochloride
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D04314  Gepirone hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR1A
     D04314  Gepirone hydrochloride (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D04314
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D04314
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D04314
Other DBs
CAS: 83928-66-9
PubChem: 47206241
ChEBI: 229646
LigandBox: D04314
LinkDB
KCF data

ATOM        27
            1   C1z C    28.3018  -12.1214
            2   C1x C    28.3018  -13.5222
            3   C5x C    27.1109  -14.2226
            4   N1y N    25.8502  -13.5222
            5   C5x C    25.8502  -12.1214
            6   C1x C    27.1109  -11.4209
            7   O5x O    27.1109  -15.6235
            8   C1b C    24.6594  -14.2226
            9   C1b C    23.3987  -13.5222
            10  C1b C    22.2079  -14.2226
            11  C1b C    21.0172  -13.5222
            12  N1y N    19.7564  -14.2226
            13  C1x C    19.7564  -15.6235
            14  C1x C    18.5657  -16.3239
            15  N1y N    17.3750  -15.6235
            16  C1x C    17.3750  -14.2226
            17  C1x C    18.5657  -13.5222
            18  C8y C    16.1843  -16.3239
            19  N5x N    16.1843  -17.7248
            20  C8x C    14.9235  -18.4252
            21  C8x C    13.7328  -17.7248
            22  C8x C    13.7328  -16.3239
            23  N5x N    14.9235  -15.6235
            24  O5x O    24.6236  -11.3997
            25  C1a C    29.6540  -12.4838
            26  C1a C    28.6641  -10.7691
            27  X   Cl   29.6800  -17.1500
BOND        28
            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     3   7 2
            8     4   8 1
            9     8   9 1
            10    9  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   12  17 1
            19   15  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26    5  24 2
            27    1  25 1
            28    1  26 1

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