KEGG   DRUG: Brexanolone
Entry
D11149                      Drug                                   
Name
Brexanolone (USAN/INN);
Zulresso (TN)
Product
ZULRESSO (Sage Therapeutics)
Formula
C21H34O2
Exact mass
318.2559
Mol weight
318.4935
Structure
Simcomp
Remark
Same as: C13712
ATC code: N06AX29
Product: D11149<US>
Efficacy
Antidepressant, Antiepileptic, GABA-A receptor modulator
Comment
Treatment of refractory status epilepticus, postpartum depression (PPD)
Target
GABR [HSA:2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 55879] [KO:K05175 K05181 K05184 K05185 K05186 K05189 K05192]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AX Other antidepressants
     N06AX29 Brexanolone
      D11149  Brexanolone (USAN/INN) <US>
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D11149  Brexanolone (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11149
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11149
Other DBs
CAS: 516-54-1
PubChem: 376219073
ChEBI: 50169
PDB-CCD: Y4B[PDBj]
LinkDB
KCF data

ATOM        23
            1   C1y C    19.7966  -17.1290
            2   C1y C    18.5330  -16.4972
            3   C1y C    20.9198  -16.4972
            4   C1x C    19.7966  -18.5330
            5   C1z C    17.4098  -17.1290
            6   C1x C    18.5330  -15.0932
            7   C1z C    20.9198  -15.0932
            8   C1x C    23.3066  -16.4972
            9   C1x C    18.6032  -19.1648
            10  C1y C    17.4098  -18.5330
            11  C1x C    16.2164  -16.4972
            12  C1a C    17.4096  -15.5846
            13  C1x C    19.7264  -14.4614
            14  C1y C    22.1132  -14.3912
            15  C1x C    23.3066  -15.0932
            16  C1x C    16.2164  -19.1648
            17  C1x C    15.0932  -17.1290
            18  C5a C    22.1132  -13.0574
            19  C1y C    15.0932  -18.5330
            20  C1a C    23.3066  -12.4256
            21  C1a C    20.9198  -13.7594
            22  O1a O    13.8998  -19.1648
            23  O5a O    20.9900  -12.4256
BOND        26
            1     3   8 1
            2     4   9 1
            3     5  10 1
            4     5  11 1
            5     5  12 1 #Up
            6     6  13 1
            7     7  14 1
            8     8  15 1
            9    10  16 1
            10   11  17 1
            11   14  18 1 #Up
            12   16  19 1
            13   18  20 1
            14    7  13 1
            15    9  10 1
            16   14  15 1
            17   17  19 1
            18    7  21 1 #Up
            19    1   2 1
            20    1   3 1
            21    1   4 1
            22    2   5 1
            23    2   6 1
            24   19  22 1 #Down
            25    3   7 1
            26   18  23 2

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