| Entry |
|
|---|
| Name |
Atumelnant (USAN/INN) |
|---|
| Formula |
C33H42F3N5O3
|
|---|
| Exact mass |
613.3240
|
|---|
| Mol weight |
613.71
|
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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
D13102 Atumelnant (USAN/INN)
|
|---|
| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 44
1 C1z C 11.4100 -9.3100
2 C5a C 12.6000 -10.0100
3 C1d C 10.2200 -10.0100
4 C1x C 12.3900 -8.3300
5 C1x C 11.4100 -7.3500
6 C1x C 10.4300 -8.3300
7 X F 8.9600 -10.7100
8 X F 9.5200 -8.8200
9 X F 10.9200 -11.2000
10 N1y N 13.7900 -9.3100
11 O5a O 12.6000 -11.4100
12 C1x C 14.9800 -10.0100
13 C1x C 16.2400 -9.3100
14 N1y N 16.2400 -7.9100
15 C1y C 15.0500 -7.2100
16 C1x C 13.7900 -7.9100
17 C1b C 15.0500 -5.8100
18 C1a C 13.8600 -5.1100
19 C8y C 17.4300 -7.2100
20 C8y C 18.6200 -7.9100
21 N5x N 19.8800 -7.2100
22 C8y C 19.8800 -5.8100
23 C8x C 18.6900 -5.1100
24 C8x C 17.4300 -5.8100
25 C5a C 18.6200 -9.3100
26 N1b N 19.8100 -10.0100
27 O5a O 17.4300 -10.0100
28 C1y C 19.8800 -11.4100
29 C1y C 19.8800 -13.0900
30 C1x C 21.2100 -13.7900
31 C1x C 18.2000 -13.8600
32 C1x C 18.2000 -15.2600
33 N1y N 19.3200 -14.4900
34 C1x C 20.7900 -15.0500
35 C1x C 19.3200 -12.2500
36 C8y C 21.0953 -5.1149
37 C8y C 22.2837 -5.8077
38 C8x C 23.4991 -5.1128
39 C8x C 23.5049 -3.7128
40 C8x C 22.3164 -3.0200
41 C8x C 21.1011 -3.7149
42 O2a O 22.2779 -7.2099
43 C1b C 23.4741 -7.9072
44 C1a C 24.6700 -7.2232
BOND 49
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
|
|---|
