Entry
Name
Rolofylline (USAN)
Formula
C20H28N4O2
Exact mass
356.2212
Mol weight
356.46
Structure
Mol file KCF file DB search
Class
Respiratory system agent
DG01616 Xanthine derivative
DG01614 Xanthine-type vasodilator
Efficacy
Diuretic, Adenosine A1 receptor antagonist
Comment
Treatment of heart of failure in patients with renal impairment undergoing diuresis
Target
Pathway
hsa04080 Neuroactive ligand-receptor interaction
Interaction
DDI search
Brite
Drug groups [BR:br08330 ]
Respiratory system agent
DG01616 Xanthine derivative
DG01614 Xanthine-type vasodilator
D08989 Rolofylline
Target-based classification of drugs [BR:br08310 ]
G Protein-coupled receptors
Rhodopsin family
Adenosine
ADORA1
D08989 Rolofylline (USAN)
BRITE hierarchy
Other DBs
LinkDB
All DBs
KCF data
Show ATOM 26
1 C1y C 21.0111 -14.8084
2 C1x C 22.8274 -16.2056
3 C1z C 23.5958 -14.9482
4 C1x C 20.2427 -16.0659
5 C1y C 21.6398 -15.6468
6 C1x C 22.2685 -15.2975
7 C1x C 21.6398 -14.1098
8 C1y C 22.2685 -12.9921
9 C1x C 21.0111 -13.4112
10 C8y C 27.1586 -14.2495
11 C8y C 27.1586 -15.6468
12 N4y N 28.3685 -16.3453
13 C8y C 29.5785 -15.6468
14 N4y N 29.5785 -14.2495
15 C8y C 28.3685 -13.5509
16 N4x N 25.8298 -13.8178
17 C8y C 25.0086 -14.9482
18 N5x N 25.8298 -16.0785
19 O5x O 28.3685 -12.1540
20 O5x O 30.8071 -16.3563
21 C1b C 30.8071 -13.5400
22 C1b C 32.0099 -14.2342
23 C1a C 33.1898 -13.5528
24 C1b C 28.3685 -17.7423
25 C1b C 27.1418 -18.4507
26 C1a C 27.1418 -19.8479
BOND 30
1 1 4 1
2 4 5 1
3 1 6 1
4 5 2 1
5 5 7 1
6 1 9 1
7 8 9 1
8 2 3 1
9 10 11 2
10 11 12 1
11 12 13 1
12 13 14 1
13 14 15 1
14 10 15 1
15 10 16 1
16 16 17 1
17 17 18 2
18 11 18 1
19 15 19 2
20 13 20 2
21 14 21 1
22 21 22 1
23 22 23 1
24 12 24 1
25 24 25 1
26 25 26 1
27 3 17 1
28 8 7 1
29 6 3 1
30 8 3 1