| Entry |
|
|---|
| Name |
Pomaglumetad methionil (USAN);
Pomaglumetad methionil monohydrate |
|---|
| Formula |
C12H18N2O7S2. H2O
|
|---|
| Exact mass |
384.0661
|
|---|
| Mol weight |
384.43
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antipsychotic, Metabotropic glutamate receptor agonist |
|---|
| Comment |
Active form of prodrug: LY404039 [CPD: C21577]
Treatment of schizophrenia
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Metabotropic glutamate receptor family
Glutamate (metabotropic)
GRM2
D09949 Pomaglumetad methionil (USAN)
GRM3
D09949 Pomaglumetad methionil (USAN)
Prodrugs [br08324.html]
DG02201
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 24
1 O0 O 22.9600 -25.9700
2 C1y C 15.4700 -21.7000
3 C1y C 16.7300 -22.4000
4 C1y C 16.7300 -21.0000
5 C1z C 17.9900 -22.8900
6 C1x C 18.8300 -21.7000
7 S2x S 18.0600 -20.5800
8 C6a C 14.0700 -21.7000
9 O6a O 13.3700 -20.5100
10 O6a O 13.3700 -22.8900
11 N1b N 17.9900 -24.2900
12 C6a C 19.1800 -23.5900
13 O6a O 20.3700 -22.8900
14 O6a O 19.1800 -24.9900
15 C5a C 16.7776 -24.9900
16 O5a O 15.5821 -24.2996
17 C1c C 16.7775 -26.3898
18 C1b C 15.5819 -27.0802
19 N1a N 18.0068 -27.0997
20 C1b C 14.3948 -26.3948
21 S2a S 13.2034 -27.0828
22 C1a C 12.0141 -26.3961
23 O3c O 19.4600 -20.5800
24 O3c O 18.0600 -19.1800
BOND 24
1 2 3 1
2 3 4 1
3 4 2 1
4 3 5 1
5 5 6 1
6 6 7 1
7 4 7 1
8 2 8 1 #Up
9 8 9 1
10 8 10 2
11 5 11 1 #Down
12 5 12 1 #Up
13 12 13 1
14 12 14 2
15 11 15 1
16 15 16 2
17 15 17 1
18 17 18 1
19 17 19 1 #Up
20 18 20 1
21 20 21 1
22 21 22 1
23 7 23 2
24 7 24 2
|
|---|
