| Entry |
|
|---|
| Name |
Atumelnant maleate (USAN) |
|---|
| Formula |
C33H42F3N5O3. C4H4O4
|
|---|
| Exact mass |
729.3349
|
|---|
| Mol weight |
729.78
|
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| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Melanocortin receptor antagonist |
|---|
| Comment |
Treatment of diseases of the adrenocorticotropic hormone
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04925 | Aldosterone synthesis and secretion |
| hsa04927 | Cortisol synthesis and secretion |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Melanocortin
MC2R
D13103 Atumelnant maleate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 52
1 C1z C 13.1442 -16.1663
2 C5a C 14.3391 -16.8691
3 C1d C 12.0196 -16.8691
4 C1x C 14.1282 -15.1822
5 C1x C 13.1442 -14.1982
6 C1x C 12.2305 -15.1822
7 X F 10.7545 -17.5017
8 X F 11.3168 -15.6742
9 X F 12.6522 -17.9937
10 N1y N 15.5340 -16.1663
11 O5a O 14.3391 -18.2046
12 C1x C 16.6586 -16.8691
13 C1x C 17.9237 -16.1663
14 N1y N 17.9237 -14.7605
15 C1y C 16.7288 -14.0577
16 C1x C 15.5340 -14.7605
17 C1b C 16.7288 -12.7222
18 C1a C 15.6042 -12.0193
19 C8y C 19.1186 -14.0577
20 C8y C 20.3135 -14.7605
21 N5x N 21.5083 -14.0577
22 C8y C 21.5083 -12.7222
23 C8x C 20.3838 -12.0193
24 C8x C 19.1186 -12.7222
25 C5a C 20.3135 -16.1663
26 N1b N 21.4381 -16.8691
27 O5a O 19.1186 -16.8691
28 C1y C 21.5083 -18.2046
29 C1y C 21.5083 -19.8915
30 C1x C 22.8438 -20.5943
31 C1x C 19.8917 -20.6646
32 C1x C 19.8917 -22.0001
33 N1y N 20.9460 -21.2972
34 C1x C 22.4221 -21.7892
35 C1x C 20.9460 -19.0480
36 C8y C 22.7032 -12.0193
37 C8y C 23.8981 -12.7222
38 C8x C 25.0930 -12.0193
39 C8x C 25.0930 -10.6136
40 C8x C 23.9684 -9.9107
41 C8x C 22.7032 -10.6136
42 O2a O 23.8981 -14.0577
43 C1b C 25.0930 -14.7605
44 C1a C 26.2878 -14.0577
45 C2b C 28.1400 -18.6900
46 C2b C 29.5400 -18.6900
47 C6a C 27.4400 -19.9024
48 C6a C 30.2400 -19.9024
49 O6a O 26.0402 -19.9024
50 O6a O 28.1304 -21.0979
51 O6a O 31.6398 -19.9024
52 O6a O 29.5496 -21.0979
BOND 56
1 1 2 1
2 1 3 1
3 1 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 3 7 1
8 3 8 1
9 3 9 1
10 2 10 1
11 2 11 2
12 10 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 10 16 1
18 15 17 1 #Up
19 17 18 1
20 14 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 19 24 1
27 20 25 1
28 25 26 1
29 25 27 2
30 28 26 1 #Up
31 29 30 1
32 29 31 1
33 31 32 1
34 32 33 1
35 33 34 1
36 30 34 1
37 29 28 1
38 33 35 1
39 35 28 1
40 22 36 1
41 36 37 2
42 37 38 1
43 38 39 2
44 39 40 1
45 40 41 2
46 36 41 1
47 37 42 1
48 42 43 1
49 43 44 1
50 45 46 2
51 45 47 1
52 46 48 1
53 47 49 1
54 47 50 2
55 48 51 2
56 48 52 1
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