| Entry |
|
|---|
| Name |
Apaxifylline (USAN/INN) |
|---|
| Formula |
C16H22N4O3
|
|---|
| Exact mass |
318.1692
|
|---|
| Mol weight |
318.37
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01967 Antiparkinson agent
DG01613 Xantine-type antiparkinsonian agent
|
|---|
| Efficacy |
Neuroprotectant, Adenosine A1 antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01967 Antiparkinson agent
DG01613 Xantine-type antiparkinsonian agent
D02964 Apaxifylline
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adenosine
ADORA1
D02964 Apaxifylline (USAN/INN)
|
|---|
| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 C1y C 22.0626 -17.2992
2 N4y N 28.0935 -16.5980
3 C8y C 28.0935 -18.0005
4 N4y N 26.9013 -18.7017
5 C8y C 25.6391 -18.0005
6 C8y C 25.6391 -16.5980
7 C8y C 26.9013 -15.8967
8 N5x N 24.3067 -18.4212
9 C8y C 23.5353 -17.2992
10 N4x N 24.3067 -16.1772
11 O5x O 26.9013 -14.4942
12 O5x O 29.2856 -18.7017
13 C1b C 29.2856 -15.8967
14 C1b C 30.5479 -16.5980
15 C1a C 31.7401 -15.8967
16 C1b C 26.9013 -20.1043
17 C1b C 25.7092 -20.8055
18 C1a C 25.7092 -22.2081
19 C1x C 21.2310 -16.1545
20 C1x C 19.8854 -16.5917
21 C5x C 19.8853 -18.0066
22 C1x C 21.2309 -18.4438
23 O5x O 18.7571 -18.8261
BOND 25
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 2
5 6 7 1
6 2 7 1
7 5 8 1
8 8 9 2
9 9 10 1
10 6 10 1
11 7 11 2
12 3 12 2
13 2 13 1
14 13 14 1
15 14 15 1
16 4 16 1
17 16 17 1
18 17 18 1
19 1 9 1 #Down
20 1 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 1 22 1
25 21 23 2
|
|---|
