Entry |
|
Name |
Idremcinal (USAN/INN) |
Formula |
C39H69NO12
|
Exact mass |
743.482
|
Mol weight |
743.9647
|
Structure |
|
Simcomp |
|
Efficacy |
Prokinetic, Motilin receptor agonist |
Comment |
Erythromycin derivative
|
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
|
Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Motilin
MLNR
D04497 Idremcinal (USAN/INN)
|
Other DBs |
|
KCF data |
ATOM 52
1 C1z C 31.3218 -30.1037
2 C1y C 31.3218 -31.5081
3 C2y C 33.7797 -31.5081
4 C1y C 33.7797 -30.1037
5 C1y C 32.5157 -29.4014
6 C1a C 31.8129 -33.3340
7 C1z C 33.7797 -34.3170
8 C1x C 34.9734 -33.6148
9 C2y C 34.9734 -32.2104
10 O7x O 30.1281 -32.2104
11 C7x C 30.1281 -33.6148
12 C1y C 31.3218 -34.3170
13 C1y C 31.3218 -35.7215
14 C1y C 32.5157 -36.4237
15 C1y C 33.7797 -35.7215
16 C1a C 34.9734 -29.4014
17 C1b C 30.1281 -30.8059
18 C1a C 34.9734 -35.0193
19 C1a C 32.5157 -37.8281
20 O1a O 32.5157 -27.9970
21 C1a C 30.1281 -29.4014
22 O2a O 30.1281 -36.4237
23 O2a O 34.9734 -36.4237
24 C1a C 36.1672 -31.5081
25 O6a O 28.9343 -34.3170
26 O2x O 33.1476 -33.0530
27 C1y C 36.2374 -37.1260
28 C1y C 36.2374 -38.5304
29 C1y C 37.4312 -39.2327
30 C1x C 38.6250 -38.5304
31 C1y C 38.6250 -37.1260
32 O2x O 37.4312 -36.4237
33 C1a C 39.8441 -36.4286
34 C1y C 30.1395 -37.8281
35 C1x C 28.9204 -38.5453
36 C1z C 28.9319 -39.9496
37 C1y C 30.1538 -40.6419
38 C1y C 31.3729 -39.9248
39 O2x O 31.3615 -38.5204
40 C1a C 32.6137 -40.6278
41 C1a C 28.9061 -31.4982
42 O1a O 34.9995 -39.2390
43 N1c N 37.4312 -40.6358
44 C1a C 36.2478 -41.3191
45 C1c C 38.6652 -41.3487
46 C1a C 39.8860 -40.6444
47 C1a C 38.6646 -42.7261
48 C1a C 28.9319 -41.3527
49 O2a O 27.7167 -40.6511
50 C1a C 26.4864 -39.9411
51 O1a O 30.1654 -42.0246
52 O1a O 31.3218 -28.7006
BOND 55
1 1 2 1
2 3 4 1
3 4 5 1
4 1 5 1
5 7 8 1
6 8 9 1
7 3 9 2
8 2 10 1
9 10 11 1
10 11 12 1
11 12 6 1 #Down
12 12 13 1
13 13 14 1
14 14 15 1
15 7 15 1
16 4 16 1 #Up
17 2 17 1 #Up
18 7 18 1 #Up
19 14 19 1 #Up
20 5 20 1 #Down
21 1 21 1 #Down
22 13 22 1 #Down
23 15 23 1 #Down
24 9 24 1
25 11 25 2
26 3 26 1
27 7 26 1
28 27 23 1 #Down
29 27 28 1
30 28 29 1
31 29 30 1
32 30 31 1
33 31 32 1
34 27 32 1
35 31 33 1 #Down
36 34 22 1 #Down
37 34 35 1
38 35 36 1
39 36 37 1
40 37 38 1
41 38 39 1
42 34 39 1
43 38 40 1 #Up
44 17 41 1
45 28 42 1 #Up
46 29 43 1 #Down
47 43 44 1
48 43 45 1
49 45 46 1
50 45 47 1
51 36 48 1 #Up
52 36 49 1 #Down
53 49 50 1
54 37 51 1 #Down
55 1 52 1 #Up
|