Entry |
|
Name |
Alemcinal (USAN/INN) |
Formula |
C38H67NO10
|
Exact mass |
697.4765
|
Mol weight |
697.94
|
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
D02801 Alemcinal (USAN/INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 49
1 C1y C 31.3223 -30.8121
2 C1y C 31.3223 -32.2163
3 C2y C 33.7799 -32.2163
4 C1y C 33.7799 -30.8121
5 C1y C 32.5160 -30.1099
6 C1a C 31.8835 -34.0419
7 C1z C 33.7799 -35.0249
8 C1x C 34.9734 -34.3228
9 C2y C 34.9734 -32.9185
10 O7x O 30.1287 -32.9185
11 C7x C 30.1287 -34.3228
12 C1y C 31.3223 -35.0249
13 C1y C 31.3223 -36.4292
14 C1y C 32.5160 -37.1314
15 C1y C 33.7799 -36.4292
16 C1a C 34.9734 -30.1099
17 C1b C 30.1287 -31.5142
18 C1a C 34.9734 -35.7271
19 C1a C 32.5160 -38.5356
20 O1a O 32.5160 -28.7056
21 C1a C 30.1287 -30.1099
22 O2a O 30.1287 -37.1314
23 O2a O 34.9734 -37.1314
24 C1a C 36.1671 -32.2163
25 O6a O 28.9351 -35.0249
26 O2x O 33.1479 -33.7611
27 C1y C 36.2374 -37.8336
28 C1y C 36.2374 -39.2378
29 C1y C 37.4309 -39.9400
30 C1x C 38.6247 -39.2378
31 C1y C 38.6247 -37.8336
32 O2x O 37.4309 -37.1314
33 C1a C 39.8437 -37.1363
34 C1y C 30.1401 -38.5356
35 C1x C 28.9212 -39.2527
36 C1z C 28.9327 -40.6568
37 C1x C 30.1545 -41.3491
38 C1y C 31.4434 -40.6320
39 O2x O 31.4319 -39.2278
40 O2a O 27.7305 -41.3640
41 C1a C 32.6841 -41.3349
42 C1a C 26.5087 -40.6717
43 C1a C 28.9068 -32.2064
44 C1a C 28.9327 -42.0598
45 O1a O 34.9995 -39.9463
46 N1c N 37.4313 -41.3282
47 C1b C 38.6717 -42.0443
48 C1a C 36.2417 -42.0155
49 C1a C 39.8821 -41.3455
BOND 52
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 36 40 1 #Down
44 38 41 1 #Up
45 40 42 1
46 17 43 1
47 36 44 1 #Up
48 28 45 1 #Up
49 29 46 1 #Down
50 46 47 1
51 46 48 1
52 47 49 1
|