| Entry |
|
|---|
| Name |
Befloxatone (INN) |
|---|
| Formula |
C15H18F3NO5
|
|---|
| Exact mass |
349.1137
|
|---|
| Mol weight |
349.30
|
|---|
| Structure |
|
|---|
| Class |
Neuropsychiatric agent
DG01568 MAO inhibitor
DG01558 Monoamine oxidase A inhibitor
|
|---|
| Efficacy |
Antidepressant, Monoamine oxidase A (MAO-A) inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa00260 | Glycine, serine and threonine metabolism |
| hsa00330 | Arginine and proline metabolism |
| hsa00982 | Drug metabolism - cytochrome P450 |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07216 | Catecholamine transferase inhibitors |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01568 MAO inhibitor
DG01558 Monoamine oxidase A inhibitor
D02563 Befloxatone
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Amine oxidases
MAOA
D02563 Befloxatone (INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 24
1 C8x C 14.7700 -16.6600
2 C8y C 14.7700 -18.0600
3 C8x C 15.9600 -18.7600
4 C8x C 17.2200 -18.0600
5 C8y C 17.2200 -16.6600
6 C8x C 15.9600 -15.9600
7 O2a O 13.5800 -18.7600
8 C1b C 12.3200 -18.0600
9 C1b C 11.1300 -18.7600
10 C1c C 9.9400 -18.0600
11 C1d C 8.6800 -18.7600
12 N1y N 18.4100 -15.9600
13 C1x C 19.8100 -15.9600
14 C1y C 20.2300 -14.6300
15 O7x O 19.1100 -13.7900
16 C7x C 17.9900 -14.6300
17 O6a O 16.6570 -14.2020
18 C1b C 21.4424 -13.9300
19 O2a O 22.6549 -14.6300
20 C1a C 23.8673 -13.9300
21 O1a O 9.9572 -16.6601
22 X F 7.4900 -19.4600
23 X F 7.9800 -17.5700
24 X F 9.3800 -19.9500
BOND 25
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 2 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 5 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 12 16 1
18 16 17 2
19 14 18 1 #Up
20 18 19 1
21 19 20 1
22 10 21 1 #Down
23 11 22 1
24 11 23 1
25 11 24 1
|
|---|
