Entry |
|
Name |
Lixivaptan (USAN/INN) |
Formula |
C27H21ClFN3O2
|
Exact mass |
473.1306
|
Mol weight |
473.9259
|
Structure |
|
Class |
Cardiovascular agent
DG01506 Arginine vasopressin receptor 2 (AVPR2) antagonist
|
Efficacy |
Diuretic, Vasopressin V2 receptor antagonist |
Comment |
Treatment of nonhypovolemic hyponatremia
|
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
hsa04962 | Vasopressin-regulated water reabsorption |
|
Interaction |
|
Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG01506 Arginine vasopressin receptor 2 (AVPR2) antagonist
D04752 Lixivaptan
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Vasopressin
AVPR2
D04752 Lixivaptan (USAN/INN)
|
Other DBs |
|
KCF data |
ATOM 34
1 C1x C 13.2934 -9.4594
2 C8y C 12.4513 -8.3498
3 N4y N 12.7865 -6.9930
4 C1x C 14.0475 -6.4149
5 N1y N 14.6992 -9.4846
6 C8y C 15.3011 -7.0372
7 C8y C 15.5876 -8.4059
8 C8x C 16.9188 -8.8430
9 C8x C 17.9630 -7.9086
10 C8x C 17.6766 -6.5399
11 C8x C 16.3452 -6.1028
12 O5a O 14.6557 -11.9091
13 C5a C 15.3773 -10.7094
14 C8x C 11.5997 -6.2549
15 C8x C 10.5310 -7.1556
16 C8x C 11.0573 -8.3102
17 C8y C 16.7998 -10.7349
18 C8y C 17.4998 -11.9474
19 C8x C 18.8998 -11.9474
20 C8y C 19.5998 -10.7349
21 C8x C 18.8998 -9.5225
22 C8x C 17.4998 -9.5225
23 X Cl 16.7899 -13.1766
24 N1b N 20.9998 -10.7349
25 C5a C 21.6891 -11.9287
26 O5a O 21.0042 -13.1149
27 C8y C 23.0891 -11.9287
28 C8y C 23.7796 -13.1240
29 C8x C 25.1796 -13.1237
30 C8x C 25.8793 -11.9111
31 C8y C 25.1888 -10.7157
32 C8x C 23.7888 -10.7161
33 C1a C 23.0997 -14.3023
34 X F 25.8938 -9.4940
BOND 38
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 6 11 2
13 12 13 2
14 5 13 1
15 3 14 1
16 14 15 2
17 15 16 1
18 2 16 2
19 13 17 1
20 17 18 2
21 18 19 1
22 19 20 2
23 20 21 1
24 21 22 2
25 17 22 1
26 18 23 1
27 20 24 1
28 24 25 1
29 25 26 2
30 25 27 1
31 27 28 2
32 28 29 1
33 29 30 2
34 30 31 1
35 31 32 2
36 27 32 1
37 28 33 1
38 31 34 1
|