| Entry |
|
|---|
| Name |
Tolcapone (JAN/USP/INN);
Tasmar (TN) |
|---|
| Product |
|
|---|
| Generic |
|
|---|
| Formula |
C14H11NO5
|
|---|
| Exact mass |
273.0637
|
|---|
| Mol weight |
273.2408
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01497 Catechol O-methyltransferase inhibitor
DG01967 Antiparkinson agent
DG02909 COMT inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiparkinsonian, COMT inhibitor |
|---|
| Disease |
Idiopathic Parkinson disease [DS: H01600] Parkinson disease [DS: H00057] |
|---|
| Comment |
Nitrocatechols
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
Enzyme inhibition: COMT [HSA: 1312]
|
|---|
| Structure map |
| map07216 | Catecholamine transferase inhibitors |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N04 ANTI-PARKINSON DRUGS
N04B DOPAMINERGIC AGENTS
N04BX Other dopaminergic agents
N04BX01 Tolcapone
D00786 Tolcapone (JAN/USP/INN) <US>
USP drug classification [BR:br08302]
Antiparkinson Agents
Antiparkinson Agents, Other
Tolcapone
D00786 Tolcapone (JAN/USP/INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01497 Catechol O-methyltransferase inhibitor
D00786 Tolcapone
DG01967 Antiparkinson agent
DG02909 COMT inhibitor
D00786 Tolcapone
Drug classes [BR:br08332]
Neuropsychiatric agent
DG01967 Antiparkinson agent
D00786 Tolcapone
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Methyltransferases
COMT
D00786 Tolcapone (JAN/USP/INN) <US>
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
D00786
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D00786
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 20
1 C8x C 9.9400 -9.8000
2 C8y C 9.9400 -11.2000
3 C8x C 11.1524 -11.9000
4 C8x C 12.3649 -11.2000
5 C8y C 12.3649 -9.8000
6 C8x C 11.1524 -9.1000
7 C8x C 14.7897 -11.2000
8 C8y C 14.7897 -9.8000
9 C5a C 13.5773 -9.1000
10 C8y C 16.0022 -11.9000
11 C8y C 17.2146 -11.2000
12 C8y C 17.2146 -9.8000
13 C8x C 16.0022 -9.1000
14 C1a C 8.7276 -11.9000
15 O5a O 13.5773 -7.7000
16 O1a O 16.0022 -13.2997
17 O1a O 18.4311 -11.9023
18 N2b N 18.4311 -9.0977 #+
19 O3a O 19.6286 -9.7892 #-
20 O3a O 18.4311 -7.7002
BOND 21
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 7 8 1
8 8 9 1
9 5 9 1
10 7 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 8 13 2
15 2 14 1
16 9 15 2
17 10 16 1
18 11 17 1
19 12 18 1
20 18 19 1
21 18 20 2
|
|---|
