| Entry |
|
|---|
| Name |
Flesinoxan (INN) |
|---|
| Formula |
C22H26FN3O4
|
|---|
| Exact mass |
415.1907
|
|---|
| Mol weight |
415.4579
|
|---|
| Structure |
|
|---|
| Class |
Neuropsychiatric agent
DG01483 5-HT1A-receptor agonist
|
|---|
| Efficacy |
Antianxiety |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01483 5-HT1A-receptor agonist
D02568 Flesinoxan
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRA1
D02568 Flesinoxan (INN)
Serotonin
HTR1A
D02568 Flesinoxan (INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C8x C 11.3476 -17.5791
2 C8y C 11.3476 -18.9798
3 C8x C 12.5606 -19.6801
4 C8x C 13.7737 -18.9798
5 C8y C 13.7737 -17.5791
6 C8x C 12.5606 -16.8788
7 C5a C 15.0054 -16.8678
8 X F 10.1346 -19.6801
9 N1b N 16.2112 -17.5638
10 O5a O 15.0051 -15.4782
11 C1b C 17.3929 -16.8788
12 C1b C 18.6060 -17.5791
13 N1y N 19.8190 -16.8788
14 C1x C 21.0341 -17.5803
15 C1x C 22.2471 -16.8800
16 N1y N 22.2471 -15.4793
17 C1x C 21.0320 -14.7778
18 C1x C 19.8190 -15.4781
19 C8y C 23.4798 -14.7674
20 C8y C 24.6851 -15.4631
21 C8y C 25.8981 -14.7627
22 C8x C 25.8980 -13.3620
23 C8x C 24.6928 -12.6662
24 C8x C 23.4798 -13.3667
25 O2x O 24.6852 -16.8638
26 C1x C 25.8982 -17.5640
27 C1y C 27.1111 -16.8636
28 O2x O 27.1111 -15.4629
29 C1b C 28.3104 -17.5561
30 O1a O 29.4940 -16.8728
BOND 33
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 27 29 1 #Up
33 29 30 1
|
|---|
