| Entry |
|
|---|
| Name |
Rivanicline galactarate (USAN) |
|---|
| Formula |
(C10H14N2)2. C6H10O8
|
|---|
| Exact mass |
534.269
|
|---|
| Mol weight |
534.6019
|
|---|
| Structure |
|
|---|
| Class |
Neuropsychiatric agent
DG01571 Nicotinic cholinergic receptor partial agonist
|
|---|
| Efficacy |
Anti-inflammatory, Nicotinic acetylcholine receptor partial agonist |
|---|
| Comment |
Treatment of ulcerative colitis
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01571 Nicotinic cholinergic receptor partial agonist
D08987 Rivanicline galactarate
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Acetylcholine (nicotinic)
CHRNA4/CHRNB2
D08987 Rivanicline galactarate (USAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 38
1 O6a O 33.9422 -14.2062
2 C6a C 32.7524 -14.9060
3 C1c C 31.4927 -14.2062
4 O6a O 32.7524 -16.3057
5 C1c C 30.3030 -14.9060
6 O1a O 31.4927 -12.8065
7 C1c C 29.1132 -14.2062
8 O1a O 30.3030 -16.3057
9 C1c C 27.8535 -14.9060
10 O1a O 29.1132 -12.8065
11 C6a C 26.6638 -14.2062
12 O1a O 27.8535 -16.3057
13 O6a O 25.4740 -14.9060
14 O6a O 26.6638 -12.8065
15 N5x N 11.5471 -14.8360
16 C8x C 11.5471 -16.2357
17 C8x C 12.7592 -16.9356
18 C8x C 13.9715 -16.2357
19 C8y C 13.9715 -14.8360
20 C8x C 12.7592 -14.1362
21 C2b C 15.2087 -14.1362
22 C2b C 16.4209 -14.8360
23 C1b C 17.6331 -14.1362
24 C1b C 18.8452 -14.8360
25 N1b N 20.0574 -14.1362
26 C1a C 21.2696 -14.8360
27 N5x N 11.5471 -14.8360
28 C8x C 11.5471 -16.2357
29 C8x C 12.7592 -16.9356
30 C8x C 13.9715 -16.2357
31 C8y C 13.9715 -14.8360
32 C8x C 12.7592 -14.1362
33 C2b C 15.2087 -14.1362
34 C2b C 16.4209 -14.8360
35 C1b C 17.6331 -14.1362
36 C1b C 18.8452 -14.8360
37 N1b N 20.0574 -14.1362
38 C1a C 21.2696 -14.8360
BOND 37
1 1 2 1
2 2 3 1
3 2 4 2
4 3 5 1
5 3 6 1 #Up
6 5 7 1
7 5 8 1 #Up
8 7 9 1
9 7 10 1 #Down
10 9 11 1
11 9 12 1 #Down
12 11 13 1
13 11 14 2
14 15 16 2
15 16 17 1
16 17 18 2
17 18 19 1
18 19 20 2
19 15 20 1
20 19 21 1
21 21 22 2
22 22 23 1
23 23 24 1
24 24 25 1
25 25 26 1
26 27 28 2
27 28 29 1
28 29 30 2
29 30 31 1
30 31 32 2
31 27 32 1
32 31 33 1
33 33 34 2
34 34 35 1
35 35 36 1
36 36 37 1
37 37 38 1
BRACKET 1 10.8500 -17.7100 10.8500 -12.2500
1 23.0300 -12.2500 23.0300 -17.7100
1 2
ORIGINAL 1 15 16 17 18 19 20 21 22 23 24 25 26
REPEAT 1 27 28 29 30 31 32 33 34 35 36 37 38
|
|---|
