| Entry |
|
|---|
| Name |
Ciforadenant (USAN) |
|---|
| Formula |
C20H21N7O3
|
|---|
| Exact mass |
407.1706
|
|---|
| Mol weight |
407.4258
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Adenosine A2A receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adenosine
ADORA2A
D11547 Ciforadenant (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 N5x N 25.5500 -25.6900
2 C8y C 25.9700 -27.0200
3 C8y C 27.3700 -27.0200
4 N4y N 27.7900 -25.6900
5 N5x N 26.6700 -24.8500
6 C8y C 25.2700 -28.2100
7 N5x N 25.9700 -29.4000
8 C8y C 27.3700 -29.4000
9 N5x N 28.0700 -28.2100
10 C1b C 28.9800 -24.9900
11 C8y C 30.1700 -25.6900
12 C8x C 30.1700 -27.0900
13 C8x C 31.4300 -27.7900
14 C8x C 32.6200 -27.0900
15 C8y C 32.6200 -25.6900
16 N5x N 31.4300 -24.9900
17 N1a N 28.0651 -30.6153
18 C8y C 23.8700 -28.2100
19 C8x C 23.0471 -27.0774
20 C8x C 21.7156 -27.5100
21 C8y C 21.7156 -28.9100
22 O2x O 23.0471 -29.3426
23 C1a C 20.5728 -29.7404
24 C1b C 33.8353 -24.9949
25 O2a O 35.0237 -25.6877
26 C1y C 36.2201 -25.0035
27 C1x C 37.4667 -25.5645
28 O2x O 38.3855 -24.5524
29 C1x C 37.7068 -23.3657
30 C1x C 36.3685 -23.6445
BOND 34
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 2
6 2 6 2
7 6 7 1
8 7 8 2
9 8 9 1
10 3 9 2
11 10 11 1
12 10 4 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 8 17 1
20 6 18 1
21 18 19 2
22 19 20 1
23 20 21 2
24 21 22 1
25 18 22 1
26 21 23 1
27 15 24 1
28 24 25 1
29 26 25 1 #Up
30 26 27 1
31 27 28 1
32 28 29 1
33 29 30 1
34 26 30 1
|
|---|
