| Entry |
|
|---|
| Name |
Dersimelagon phosphate (USAN);
Dersimelagon phosphoric acid (JAN) |
|---|
| Formula |
C36H45F4N3O5. H3PO4
|
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| Exact mass |
773.3064
|
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| Mol weight |
773.75
|
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| Structure |
|
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| Remark |
|
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| Efficacy |
Melanocortin 1 receptor agonist |
|---|
| Comment |
Prevention of phototoxicity in adults and adolescents with Erythropoietic protoporphyria (EPP) and X-linked protoporphyria (XLP)
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Melanocortin
MC1R
D12148 Dersimelagon phosphate (USAN)
|
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 53
1 N1y N 15.9120 -18.2952
2 C1x C 15.9120 -19.6972
3 C1x C 17.1037 -20.3981
4 C1y C 18.3654 -19.6972
5 C1x C 18.3654 -18.2952
6 C1x C 17.1037 -17.5943
7 C6a C 19.5571 -20.3981
8 O6a O 20.7487 -19.6972
9 O6a O 19.5571 -21.8000
10 C8y C 14.7204 -17.5943
11 C8y C 14.7204 -16.1923
12 C8x C 13.4586 -15.4914
13 C8x C 12.2670 -16.1923
14 C8y C 12.2670 -17.5943
15 C8x C 13.4586 -18.2952
16 C1d C 11.0754 -18.2952
17 X F 9.8136 -18.9962
18 X F 10.3744 -17.1036
19 X F 11.7763 -19.4869
20 C1y C 15.9120 -15.4914
21 C1x C 17.3140 -15.4914
22 N1y N 17.8046 -14.2296
23 C1x C 16.6831 -13.3885
24 C1y C 15.5615 -14.1595
25 C5a C 18.9963 -13.5286
26 C1z C 20.1879 -14.2296
27 C1x C 20.6085 -15.5615
28 N1y N 22.0104 -15.5615
29 C1x C 22.4310 -14.2997
30 C1y C 21.3095 -13.4586
31 C1y C 22.7815 -16.7531
32 C1x C 22.2908 -18.0849
33 C1x C 23.4825 -18.9261
34 C1x C 24.6040 -18.0849
35 C1x C 24.1834 -16.7531
36 C8x C 22.5011 -11.2856
37 C8y C 22.5011 -12.7576
38 C8x C 23.6928 -13.4586
39 C8x C 24.9545 -12.7576
40 C8y C 24.9545 -11.2856
41 C8x C 23.6928 -10.5846
42 O2a O 26.1461 -10.5846
43 C1a C 27.4079 -11.2856
44 X F 19.0664 -15.0708
45 O5a O 18.9963 -12.1267
46 C1b C 14.3699 -13.4586
47 O2a O 13.1783 -14.1595
48 C1a C 11.9866 -13.4586
49 P1b P 29.2600 -20.4400
50 O1c O 27.8600 -20.4400
51 O1c O 30.6600 -20.4400
52 O1c O 29.2600 -21.8400
53 O1c O 29.2600 -19.0400
BOND 57
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 4 7 1
8 7 8 1
9 7 9 2
10 1 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 10 15 1
17 14 16 1
18 16 17 1
19 16 18 1
20 16 19 1
21 20 11 1 #Down
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 20 24 1
27 26 25 1 #Up
28 25 22 1
29 26 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 26 30 1
34 28 31 1
35 31 32 1
36 32 33 1
37 33 34 1
38 34 35 1
39 31 35 1
40 36 37 2
41 37 38 1
42 38 39 2
43 39 40 1
44 40 41 2
45 36 41 1
46 30 37 1 #Down
47 40 42 1
48 42 43 1
49 26 44 1 #Down
50 25 45 2
51 24 46 1 #Up
52 46 47 1
53 47 48 1
54 49 50 1
55 49 51 1
56 49 52 1
57 49 53 2
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