| Entry |
|
|---|
| Name |
Mavatrep (USAN) |
|---|
| Formula |
C25H21F3N2O
|
|---|
| Exact mass |
422.1606
|
|---|
| Mol weight |
422.44
|
|---|
| Structure |
|
|---|
| Efficacy |
Analgesic, Transient receptor potential (TRP) channel agonist |
|---|
| Comment |
Treatment of pain
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Ion channels
Voltage-gated ion channels
Transient receptor potential channels
TRPV1
D10370 Mavatrep (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C8x C 9.9328 -16.2893
2 C8x C 9.9328 -17.6876
3 C8x C 11.1439 -18.3868
4 C8x C 12.3550 -17.6876
5 C8y C 12.3550 -16.2893
6 C8y C 11.1439 -15.5901
7 C1d C 11.1439 -14.1919
8 C1a C 9.9160 -13.4828
9 O1a O 12.3381 -13.5022
10 C1a C 9.9161 -14.9008
11 C8y C 13.5846 -15.5791
12 C8x C 14.7885 -16.2740
13 C8y C 15.9994 -15.5747
14 C8y C 15.9994 -14.1763
15 C8x C 14.7956 -13.4814
16 C8x C 13.5845 -14.1807
17 N5x N 17.3295 -16.0066
18 C8y C 18.1513 -14.8754
19 N4x N 17.3293 -13.7440
20 C2b C 19.5817 -14.8749
21 C2b C 20.2883 -16.0976
22 C8y C 21.6793 -16.0970
23 C8x C 22.3715 -17.2945
24 C8x C 23.7699 -17.2938
25 C8y C 24.4686 -16.0825
26 C8x C 23.7763 -14.8850
27 C8x C 22.3779 -14.8857
28 C1d C 25.8746 -16.0818
29 X F 27.2916 -16.0809
30 X F 25.8746 -17.4818
31 X F 25.8746 -14.6818
BOND 34
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 6 7 1
8 7 8 1
9 7 9 1
10 7 10 1
11 5 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 11 16 1
18 13 17 1
19 17 18 2
20 18 19 1
21 14 19 1
22 18 20 1
23 20 21 2
24 21 22 1
25 22 23 2
26 23 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 22 27 1
31 25 28 1
32 28 29 1
33 28 30 1
34 28 31 1
|
|---|
