| Entry |
|
|---|
| Name |
Regadenoson (USAN/INN);
Lexiscan (TN)
|
|---|
| Product |
|
|---|
| Formula |
C15H18N8O5
|
|---|
| Exact mass |
390.14
|
|---|
| Mol weight |
390.354
|
|---|
| Structure |
     |
|---|
| Activity |
Coronary vasodilator for intravenous use as an adjunct, or pharmacologic stress agent, in radionuclide myocardial perfusion imaging in patients unable to exercise adequately [A2A adenosine receptor agonist]
|
|---|
| Remark |
|
|---|
| Target |
adenosine A2a receptor agonist [HSA: 135] [KO: K04266] |
|---|
| Pathway |
hsa04020 Calcium signaling pathway
hsa04080 Neuroactive ligand-receptor interaction
hsa04270 Vascular smooth muscle contraction | |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C01 CARDIAC THERAPY
C01E OTHER CARDIAC PREPARATIONS
C01EB Other cardiac preparations
C01EB21 Regadenoson
D05711 Regadenoson (USAN/INN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adenosine
adenosine A2a receptor [HSA:135] [KO:K04266]
Regadenoson [ATC:C01EB21]
D05711 Regadenoson (USAN/INN)
 |
|---|
| Other DBs |
CAS: 313348-27-5 PubChem: LigandBox: |
|---|
| KCF data |
ATOM 28
1 C1y C 13.3000 -9.9400
2 C1y C 14.7000 -9.9400
3 C1y C 15.1326 -8.6085
4 O2x O 14.0000 -7.7856
5 C1y C 12.8674 -8.6085
6 O1a O 12.6000 -11.1524
7 O1a O 15.4000 -11.1524
8 N4y N 16.4522 -8.1797
9 C1b C 11.5478 -8.1797
10 O1a O 10.5035 -9.1199
11 C8y C 17.4883 -9.1291
12 C8y C 18.7107 -8.4382
13 N5x N 18.4314 -7.0621
14 C8x C 17.0363 -6.9025
15 N5x N 17.4755 -10.5291
16 C8y C 18.6814 -11.2401
17 N5x N 19.9739 -10.5492
18 C8y C 19.9167 -9.1493
19 N1a N 21.1327 -8.4208
20 N4y N 18.7214 -12.6695
21 N5x N 17.5925 -13.5392
22 C8x C 18.0709 -14.8816
23 C8y C 19.4954 -14.9115
24 C8x C 19.8974 -13.4743
25 O5a O 19.4445 -17.3358
26 C5a C 20.1698 -16.1383
27 N1b N 21.5698 -16.1383
28 C1a C 22.2813 -17.3699
BOND 31
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 1 6 1 #Down
7 2 7 1 #Down
8 3 8 1 #Up
9 5 9 1 #Up
10 9 10 1
11 8 11 1
12 11 12 1
13 12 13 1
14 13 14 2
15 8 14 1
16 11 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 12 18 2
21 18 19 1
22 16 20 1
23 20 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 20 24 1
28 25 26 2
29 23 26 1
30 26 27 1
31 27 28 1
|
|---|
