| Entry |
|
|---|
| Name |
Nitecapone (INN) |
|---|
| Formula |
C12H11NO6
|
|---|
| Exact mass |
265.0586
|
|---|
| Mol weight |
265.22
|
|---|
| Structure |
|
|---|
| Class |
Neuropsychiatric agent
DG01497 Catechol O-methyltransferase inhibitor
|
|---|
| Efficacy |
Antiparkinsonian, COMT inhibitor |
|---|
| Comment |
Nitrocatechols
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Structure map |
| map07216 | Catecholamine transferase inhibitors |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01497 Catechol O-methyltransferase inhibitor
D03241 Nitecapone
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Methyltransferases
COMT
D03241 Nitecapone (INN)
|
|---|
| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 19
1 C8y C 32.0364 -16.4247
2 C8x C 33.2365 -15.7316
3 C2b C 30.8249 -15.7316
4 C8x C 32.0307 -17.8287
5 C8y C 34.4537 -16.4247
6 C2c C 29.6131 -16.4190
7 C8y C 33.2365 -18.5335
8 C8y C 34.4537 -17.8287
9 N2b N 35.6654 -15.7316 #+
10 C5a C 28.4074 -15.7257
11 C5a C 29.6131 -17.8111
12 O1a O 33.2539 -19.9314
13 O1a O 35.6713 -18.5276
14 O3a O 35.6713 -14.3277
15 O3a O 36.8770 -16.4190 #-
16 C1a C 27.1960 -16.4131
17 O5a O 28.4133 -14.3220
18 C1a C 28.3767 -18.5249
19 O5a O 30.8354 -18.5168
BOND 19
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 4 7 2
7 5 8 2
8 5 9 1
9 6 10 1
10 6 11 1
11 7 12 1
12 8 13 1
13 9 14 2
14 9 15 1
15 10 16 1
16 10 17 2
17 7 8 1
18 11 18 1
19 11 19 2
|
|---|
