| Entry |
|
|---|
| Name |
Tozadenant (USAN) |
|---|
| Formula |
C19H26N4O4S
|
|---|
| Exact mass |
406.1675
|
|---|
| Mol weight |
406.4991
|
|---|
| Structure |
|
|---|
| Efficacy |
Antiparkinsonian, Adenosine A2A receptor antagonist |
|---|
| Comment |
Treatment of Parkinson's disease, dopaminergic neurotransmission disorders
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adenosine
ADORA2A
D10174 Tozadenant (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C8x C 14.5600 -18.2000
2 C8x C 14.5600 -16.8000
3 C8y C 15.7500 -16.1000
4 C8y C 17.0100 -16.8000
5 C8y C 17.0100 -18.2000
6 C8y C 15.7500 -18.9000
7 N1y N 15.7500 -20.3000
8 C1x C 16.9400 -21.0000
9 C1x C 16.9400 -22.4000
10 O2x O 15.7500 -23.1000
11 C1x C 14.5600 -22.4000
12 C1x C 14.5600 -21.0000
13 O2a O 15.7500 -14.7000
14 C1a C 14.5600 -14.0000
15 N5x N 18.3400 -16.3800
16 C8y C 19.1100 -17.5000
17 S2x S 18.3400 -18.6200
18 N1b N 20.5100 -17.5000
19 C5a C 21.2100 -16.3100
20 N1y N 22.6100 -16.3100
21 C1x C 23.3100 -15.1200
22 C1x C 24.7100 -15.1200
23 C1z C 25.4100 -16.3100
24 C1x C 24.7100 -17.5000
25 C1x C 23.3100 -17.5000
26 O1a O 26.3900 -17.2900
27 C1a C 26.3900 -15.3300
28 O5a O 20.5149 -15.0947
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 6 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 7 12 1
14 3 13 1
15 13 14 1
16 4 15 1
17 15 16 2
18 16 17 1
19 5 17 1
20 16 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 20 25 1
29 23 26 1
30 23 27 1
31 19 28 2
|
|---|
