| Entry |
|
|---|
| Name |
Toreforant (USAN/INN) |
|---|
| Formula |
C23H32N6
|
|---|
| Exact mass |
392.2688
|
|---|
| Mol weight |
392.54
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiasthmatic, Antipsoriatic, H4 receptor antagonist |
|---|
| Comment |
Treatment of asthma, psoriasis
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
HRH4
D10735 Toreforant (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8y C 23.9773 -19.2076
2 C8x C 24.9265 -18.1772
3 C8y C 24.5088 -16.8399
4 C8y C 23.1418 -16.5330
5 C8y C 22.1926 -17.5634
6 C8x C 22.6104 -18.9007
7 N5x N 22.4552 -15.3119
8 C8y C 21.0816 -15.5875
9 N4x N 20.9193 -16.9790
10 C1a C 24.3950 -20.5448
11 C1a C 25.4580 -15.8095
12 C8y C 20.0512 -14.6383
13 C8y C 20.3551 -13.2859
14 N5x N 19.3249 -12.3365
15 C8y C 17.9876 -12.7539
16 N5x N 17.6837 -14.1063
17 C8x C 18.7139 -15.0557
18 C1a C 21.6923 -12.8682
19 N1b N 16.9581 -11.8051
20 C1b C 15.6217 -12.2223
21 C1b C 15.3178 -13.5747
22 C1b C 13.9814 -13.9919
23 C1y C 13.6745 -15.3578
24 C1x C 14.7040 -16.3066
25 C1x C 12.3381 -15.7750
26 C1x C 12.0311 -17.1409
27 N1y N 13.0606 -18.0897
28 C1x C 14.3970 -17.6725
29 C1a C 12.7537 -19.4556
BOND 32
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 1 10 1
12 3 11 1
13 8 12 1
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 12 17 2
20 13 18 1
21 15 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 23 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 24 28 1
32 27 29 1
|
|---|
