| Entry |
|
|---|
| Name |
Emraclidine (USAN/INN) |
|---|
| Formula |
C20H21F3N4O
|
|---|
| Exact mass |
390.1667
|
|---|
| Mol weight |
390.40
|
|---|
| Structure |
|
|---|
| Efficacy |
Antipsychotic, Muscarinic acetylcholine receptor M4 positive allosteric modulator |
|---|
| Comment |
Treatment of schizophrenia
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Acetylcholine (muscarinic)
CHRM4
D12468 Emraclidine (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C8x C 8.0500 -16.7300
2 C8y C 8.0500 -18.1300
3 N5x N 9.2400 -18.8300
4 C8y C 10.5000 -18.1300
5 C8y C 10.5000 -16.7300
6 C8y C 9.2400 -16.0300
7 C1x C 11.8300 -18.5500
8 N1y N 12.6000 -17.4300
9 C1x C 11.8300 -16.3100
10 C5a C 14.0000 -17.4300
11 C1b C 14.7000 -18.6200
12 C1y C 16.1000 -18.6200
13 O5a O 14.7000 -16.2400
14 C1x C 17.0800 -19.6000
15 N1y N 18.0600 -18.6200
16 C1x C 17.0800 -17.6400
17 C8y C 19.4600 -18.6200
18 C8x C 20.1600 -19.8100
19 C8x C 21.5600 -19.8100
20 N5x N 22.2600 -18.6200
21 C8y C 21.5600 -17.4300
22 C8x C 20.1600 -17.4300
23 C1d C 22.2600 -16.2400
24 X F 22.9600 -14.9800
25 X F 21.0700 -15.5400
26 X F 23.4500 -16.9400
27 C1a C 6.8600 -18.8300
28 C1a C 9.2400 -14.6300
BOND 31
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 8 10 1
12 10 11 1
13 11 12 1
14 10 13 2
15 12 14 1
16 14 15 1
17 15 16 1
18 12 16 1
19 15 17 1
20 17 18 2
21 18 19 1
22 19 20 2
23 20 21 1
24 21 22 2
25 17 22 1
26 21 23 1
27 23 24 1
28 23 25 1
29 23 26 1
30 2 27 1
31 6 28 1
|
|---|
