| Entry |
|
|---|
| Name |
Lecozotan hydrochloride (USAN);
Lecozotan SR;
SRA 333 |
|---|
| Formula |
C28H29N5O3. HCl
|
|---|
| Exact mass |
519.2037
|
|---|
| Mol weight |
520.02
|
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| Structure |
|
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| Efficacy |
Dementia therapeutic agent, Serotonin 5-HT1A receptor antagonist |
|---|
| Comment |
Treatment of cognitive deficits associated with Alzheimer's disease
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR1A
D04683 Lecozotan hydrochloride (USAN)
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 37
1 C8x C 34.9551 -26.0686
2 C8y C 34.9551 -27.4706
3 C8x C 36.1693 -28.1716
4 C8x C 37.3835 -27.4706
5 C8y C 37.3835 -26.0686
6 C8x C 36.1693 -25.3676
7 C5a C 38.6164 -25.3566
8 C3b C 33.7410 -28.1716
9 N1c N 39.8233 -26.0532
10 O5a O 38.6161 -23.9657
11 C1b C 41.0062 -25.3676
12 C1c C 42.2204 -26.0686
13 N1y N 43.4346 -25.3676
14 C1x C 44.6508 -26.0698
15 C1x C 45.8650 -25.3688
16 N1y N 45.8650 -23.9668
17 C1x C 44.6487 -23.2646
18 C1x C 43.4346 -23.9656
19 C8y C 47.0989 -23.2542
20 C8y C 48.3053 -23.9505
21 C8y C 49.5195 -23.2495
22 C8x C 49.5194 -21.8474
23 C8x C 48.3130 -21.1510
24 C8x C 47.0989 -21.8521
25 O2x O 48.3054 -25.3526
26 C1x C 49.5196 -26.0534
27 C1x C 50.7336 -25.3524
28 O2x O 50.7336 -23.9503
29 N3a N 32.5274 -28.8722
30 C1a C 42.2205 -27.4607
31 C8y C 39.8244 -27.4605
32 C8x C 38.6323 -28.1504
33 C8x C 38.6336 -29.5518
34 C8x C 39.8480 -30.2512
35 C8x C 41.0401 -29.5613
36 N5x N 41.0388 -28.1599
37 X Cl 48.0200 -28.6300
BOND 40
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 2 8 1
9 7 9 1
10 7 10 2
11 9 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 13 18 1
20 16 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 26 27 1
30 27 28 1
31 21 28 1
32 8 29 3
33 12 30 1 #Down
34 9 31 1
35 31 32 2
36 32 33 1
37 33 34 2
38 34 35 1
39 35 36 2
40 31 36 1
|
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