| Entry |
|
|---|
| Name |
Conivaptan (INN) |
|---|
| Formula |
C32H26N4O2
|
|---|
| Exact mass |
498.2056
|
|---|
| Mol weight |
498.5744
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01506 Arginine vasopressin receptor 2 (AVPR2) antagonist
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Diuretic, Vasopressin receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04962 | Vasopressin-regulated water reabsorption |
|
|---|
| Metabolism |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C03 DIURETICS
C03X OTHER DIURETICS
C03XA Vasopressin antagonists
C03XA02 Conivaptan
D07748 Conivaptan (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01506 Arginine vasopressin receptor 2 (AVPR2) antagonist
DG00276 Conivaptan
D07748 Conivaptan
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG00276 Conivaptan
D07748 Conivaptan
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG00276 Conivaptan
D07748 Conivaptan
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Vasopressin
AVPR1A
D07748 Conivaptan (INN)
AVPR2
D07748 Conivaptan (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07748
Drug groups [BR:br08330]
Cardiovascular agent
DG01506 Arginine vasopressin receptor 2 (AVPR2) antagonist
DG00276 Conivaptan
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG00276 Conivaptan
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG00276 Conivaptan
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 38
1 C1x C 19.6700 -19.7400
2 C8y C 18.7600 -18.5500
3 C8y C 19.1100 -17.2200
4 C8y C 20.4400 -16.5900
5 C1x C 21.0700 -19.7400
6 C8y C 21.6300 -17.2200
7 N1y N 21.9100 -18.6200
8 N4x N 17.9900 -16.4500
9 C8y C 16.8700 -17.3600
10 N5x N 17.4300 -18.5500
11 C1a C 15.4700 -17.3600
12 C5a C 23.1000 -19.3200
13 C8y C 24.3600 -18.6200
14 C8x C 22.8200 -16.5200
15 C8x C 22.7500 -15.1200
16 C8x C 21.5600 -14.4900
17 C8x C 20.3700 -15.1900
18 O5a O 23.1000 -20.7200
19 C8x C 25.5500 -19.3200
20 C8x C 26.8100 -18.6200
21 C8y C 26.8100 -17.2200
22 C8x C 25.5500 -16.5200
23 C8x C 24.3600 -17.2200
24 N1b N 28.0000 -16.5200
25 C5a C 29.2600 -17.2200
26 C8y C 30.4500 -16.5200
27 O5a O 29.2600 -18.6200
28 C8y C 31.6400 -17.2200
29 C8x C 32.8300 -16.5200
30 C8x C 32.8300 -15.1200
31 C8x C 31.6400 -14.4200
32 C8x C 30.4500 -15.1200
33 C8y C 31.6400 -18.6200
34 C8x C 30.3800 -19.3200
35 C8x C 30.3800 -20.7200
36 C8x C 31.5700 -21.4200
37 C8x C 32.8300 -20.7200
38 C8x C 32.8300 -19.3200
BOND 43
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 2
5 5 7 1
6 1 2 1
7 6 7 1
8 3 8 1
9 8 9 1
10 9 10 2
11 2 10 1
12 9 11 1
13 7 12 1
14 12 13 1
15 6 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 4 17 2
20 12 18 2
21 13 19 2
22 19 20 1
23 20 21 2
24 21 22 1
25 22 23 2
26 13 23 1
27 21 24 1
28 24 25 1
29 25 26 1
30 25 27 2
31 26 28 2
32 28 29 1
33 29 30 2
34 30 31 1
35 31 32 2
36 26 32 1
37 28 33 1
38 33 34 2
39 34 35 1
40 35 36 2
41 36 37 1
42 37 38 2
43 33 38 1
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