| Entry |
|
|---|
| Name |
Sofinicline benzenesulfonate (USAN) |
|---|
| Formula |
C10H11Cl2N3. C6H6O3S
|
|---|
| Exact mass |
401.0368
|
|---|
| Mol weight |
402.29
|
|---|
| Structure |
|
|---|
| Class |
Neuropsychiatric agent
DG01571 Nicotinic cholinergic receptor partial agonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Dementia therapeutic agent, Nicotinic acetylcholine receptor agonist |
|---|
| Comment |
Diabetic neuropathic pain, attention deficit/hyperactivity disorder (ADHD), dementia of Alzheimer's type (AD)
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01571 Nicotinic cholinergic receptor partial agonist
DG01286 Sofinicline
D09383 Sofinicline benzenesulfonate
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Acetylcholine (nicotinic)
CHRNA4/CHRNB2
D09383 Sofinicline benzenesulfonate (USAN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01571 Nicotinic cholinergic receptor partial agonist
DG01286 Sofinicline
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 25
1 C8x C 30.3964 -23.3969
2 C8x C 30.3964 -24.7937
3 C8x C 31.6061 -25.4921
4 C8x C 32.8158 -24.7937
5 C8x C 32.8158 -23.3969
6 C8y C 31.6061 -22.6985
7 S4a S 31.6061 -21.3019
8 O1d O 30.2093 -21.3019
9 O1d O 33.0029 -21.3019
10 O1d O 31.6061 -19.9051
11 C1y C 20.7200 -22.8900
12 C1y C 21.1400 -24.2200
13 C1x C 22.5400 -24.2200
14 N1y N 22.9600 -22.8900
15 C1x C 21.8400 -22.0500
16 C1x C 19.3900 -23.3100
17 N1x N 19.8100 -24.6400
18 C8x C 24.1500 -20.7900
19 C8y C 24.1500 -22.1900
20 C8x C 25.3400 -22.8900
21 C8y C 26.6000 -22.1900
22 C8y C 26.6000 -20.7900
23 N5x N 25.3400 -20.0900
24 X Cl 27.7900 -20.0900
25 X Cl 27.7900 -22.8900
BOND 27
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 6 7 1
8 7 8 2
9 7 9 2
10 7 10 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 11 15 1
16 11 16 1
17 16 17 1
18 12 17 1
19 18 19 2
20 19 20 1
21 20 21 2
22 21 22 1
23 22 23 2
24 18 23 1
25 22 24 1
26 21 25 1
27 19 14 1
|
|---|
