| Entry |
|
|---|
| Name |
Toloxatone (INN);
Humoryl (TN) |
|---|
| Formula |
C11H13NO3
|
|---|
| Exact mass |
207.0895
|
|---|
| Mol weight |
207.23
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01568 MAO inhibitor
DG01558 Monoamine oxidase A inhibitor
|
|---|
| Remark |
|
|---|
| 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 |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N06 PSYCHOANALEPTICS
N06A ANTIDEPRESSANTS
N06AG Monoamine oxidase A inhibitors
N06AG03 Toloxatone
D02559 Toloxatone (INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01568 MAO inhibitor
DG01558 Monoamine oxidase A inhibitor
D02559 Toloxatone
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Amine oxidases
MAOA
D02559 Toloxatone (INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 15
1 C8x C 27.7210 -17.2208
2 C8x C 27.7210 -18.6209
3 C8y C 28.9334 -19.3210
4 C8x C 30.1460 -18.6209
5 C8y C 30.1460 -17.2208
6 C8x C 28.9334 -16.5208
7 C1a C 28.9334 -20.7208
8 N1y N 31.3772 -16.5098
9 C1x C 32.6998 -16.9311
10 C1y C 33.5113 -15.8028
11 O7x O 32.6890 -14.6823
12 C7x C 31.3692 -15.1181
13 O6a O 30.2162 -14.2887
14 C1b C 34.9345 -15.7962
15 O1a O 35.6327 -16.9924
BOND 16
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 3 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 8 12 1
14 12 13 2
15 10 14 1
16 14 15 1
|
|---|
