| Entry |
|
|---|
| Name |
Sofinicline (USAN) |
|---|
| Formula |
C10H11Cl2N3
|
|---|
| Exact mass |
243.0330
|
|---|
| Mol weight |
244.12
|
|---|
| Structure |
|
|---|
| Class |
Neuropsychiatric agent
DG01571 Nicotinic cholinergic receptor partial agonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Dementia therapeutic agent, Nicotinic acetylcholine receptor agonist |
|---|
| Comment |
Attention deficit/hyperactivity disorder, neuropathic pain, Alzheimer's type dementia
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01571 Nicotinic cholinergic receptor partial agonist
DG01286 Sofinicline
D09382 Sofinicline
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Acetylcholine (nicotinic)
CHRNA4/CHRNB2
D09382 Sofinicline (USAN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01571 Nicotinic cholinergic receptor partial agonist
DG01286 Sofinicline
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 15
1 C1y C 15.5400 -24.5000
2 C1y C 15.9600 -25.8300
3 C1x C 17.3600 -25.8300
4 N1y N 17.7800 -24.5000
5 C1x C 16.6600 -23.6600
6 C1x C 14.2100 -24.9200
7 N1x N 14.6300 -26.2500
8 C8x C 18.9700 -22.4000
9 C8y C 18.9700 -23.8000
10 C8x C 20.1600 -24.5000
11 C8y C 21.4200 -23.8000
12 C8y C 21.4200 -22.4000
13 N5x N 20.1600 -21.7000
14 X Cl 22.6100 -21.7000
15 X Cl 22.6100 -24.5000
BOND 17
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 1 6 1
7 6 7 1
8 2 7 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 12 14 1
16 11 15 1
17 9 4 1
|
|---|
