| Entry |
|
|---|
| Name |
Brexanolone (USAN/INN);
Zulresso (TN)
|
|---|
| Product |
|
|---|
| Formula |
C21H34O2
|
|---|
| Exact mass |
318.2559
|
|---|
| Mol weight |
318.4935
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antidepressant, Antiepileptic, GABA-A receptor modulator |
|---|
| Comment |
Treatment of refractory status epilepticus, postpartum depression (PPD)
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
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 |
|
|---|
| 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
|
|---|
