| Entry |
|
|---|
| Name |
Rosiptor (USAN/INN) |
|---|
| Formula |
C20H35NO2
|
|---|
| Exact mass |
321.2668
|
|---|
| Mol weight |
321.50
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Anti-inflammatory |
|---|
| Comment |
Treatment of interstitial cystitis/bladder pain syndrome
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04070 | Phosphatidylinositol signaling system |
| hsa04664 | Fc epsilon RI signaling pathway |
| hsa04666 | Fc gamma R-mediated phagocytosis |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Phosphatases
INPP5D (SHIP1)
D11275 Rosiptor (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 C1y C 16.5200 -17.3600
2 C1x C 16.5200 -15.9600
3 C1x C 17.7100 -15.2600
4 C1z C 18.9700 -15.9600
5 C1y C 18.9700 -17.3600
6 C1y C 17.7100 -18.0600
7 C1z C 15.3300 -18.0600
8 C1y C 15.3300 -19.4600
9 C1x C 14.0700 -20.1600
10 C1y C 12.8800 -19.4600
11 C1x C 12.8800 -18.0600
12 C1x C 14.0700 -17.3600
13 O1a O 11.6900 -20.1600
14 C1b C 16.5200 -20.1600
15 C1b C 17.7100 -19.4600
16 C1a C 15.3300 -16.6600
17 O1a O 16.5200 -21.5600
18 N1a N 18.9000 -20.1600
19 C1a C 18.9700 -14.5600
20 C1x C 21.3949 -17.3600
21 C1x C 21.3949 -15.9600
22 C2y C 20.1824 -15.2600
23 C2a C 20.1824 -13.8602
BOND 25
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 7 12 1
14 10 13 1 #Up
15 8 14 1 #Up
16 7 16 1 #Up
17 6 15 1 #Down
18 14 17 1
19 15 18 1
20 4 19 1 #Up
21 5 20 1
22 20 21 1
23 21 22 1
24 4 22 1
25 22 23 2
|
|---|
