Entry |
|
Name |
Devazepide (USAN/INN); L 364718 |
Formula |
C25H20N4O2
|
Exact mass |
408.1586
|
Mol weight |
408.4519
|
Structure |
|
Simcomp |
|
Remark |
|
Efficacy |
Prokinetic, Cholecystokinin receptor antagonist |
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
|
Structure map |
|
Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Cholecystokinin
CCKAR
D02693 Devazepide (USAN/INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 31
1 C2y C 20.4334 -14.8494
2 C8y C 19.5913 -13.7398
3 C8y C 19.9265 -12.3830
4 N1y N 21.1875 -11.8049
5 N2x N 21.8392 -14.8746
6 C5x C 22.4411 -12.4272
7 C1y C 22.7276 -13.7959
8 C8x C 18.9194 -11.4146
9 C8x C 17.5774 -11.8027
10 C8x C 17.2422 -13.1595
11 C8x C 18.2493 -14.1276
12 C8y C 19.7989 -16.0991
13 C8x C 18.3973 -16.0991
14 C1a C 21.2092 -10.4300
15 C8x C 17.6973 -17.3116
16 C8x C 18.3973 -18.5240
17 C8x C 19.7989 -18.5240
18 C8x C 20.4989 -17.3116
19 N1b N 23.9401 -14.4959
20 C5a C 25.1525 -13.7959
21 O5x O 23.5503 -11.5695
22 C8y C 26.3454 -14.4848
23 O5a O 25.1527 -12.3902
24 N4x N 26.3263 -15.8918
25 C8y C 27.6516 -16.3430
26 C8y C 28.4903 -15.2220
27 C8x C 27.6833 -14.0780
28 C8x C 29.8903 -15.2220
29 C8x C 30.5766 -16.4101
30 C8x C 29.8930 -17.5942
31 C8x C 28.4902 -17.5943
BOND 35
1 3 4 1
2 1 5 2
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 3 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 2 11 2
13 1 12 1
14 12 13 1
15 4 14 1
16 13 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 12 18 2
21 7 19 1 #Up
22 19 20 1
23 6 21 2
24 20 22 1
25 20 23 2
26 22 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 22 27 2
31 26 28 2
32 28 29 1
33 29 30 2
34 30 31 1
35 31 25 2
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