| Entry |
| ||||||
|---|---|---|---|---|---|---|---|
| Name | Opicapone (JAN/USAN/INN); Ongentys (TN) | ||||||
| Product | ONGENTYS (Neurocrine Biosciences) | ||||||
| Formula | C15H10Cl2N4O6 | ||||||
| Exact mass | 411.9977 | ||||||
| Mol weight | 413.1691 | ||||||
| Structure |  | ||||||
| Class | Neuropsychiatric agent DG01967 Antiparkinson agent DG02909 COMT inhibitor | ||||||
| Remark |
| ||||||
| Efficacy | Antiparkinsonian, COMT inhibitor | ||||||
| Disease | Parkinson's disease [DS:H00057] | ||||||
| Comment | Nitrocactechols Treatment of Parkinson's disease | ||||||
| Target | COMT [HSA:1312] [KO:K00545] | ||||||
| Pathway |
| ||||||
| Interaction | Enzyme inhibition: COMT [HSA:1312] | ||||||
| Brite | Anatomical Therapeutic Chemical (ATC) classification [BR:br08303] N NERVOUS SYSTEM N04 ANTI-PARKINSON DRUGS N04B DOPAMINERGIC AGENTS N04BX Other dopaminergic agents N04BX04 Opicapone D10825 Opicapone (JAN/USAN/INN) <JP/US> USP drug classification [BR:br08302] Antiparkinson Agents Antiparkinson Agents, Other Opicapone D10825 Opicapone (JAN/USAN/INN) Therapeutic category of drugs in Japan [BR:br08301] 1 Agents affecting nervous system and sensory organs 11 Agents affecting central nervous system 116 Antiparkinsonian agents 1169 Others D10825 Opicapone (JAN/USAN/INN) Drug groups [BR:br08330] Neuropsychiatric agent DG01967 Antiparkinson agent DG02909 COMT inhibitor D10825 Opicapone Drug classes [BR:br08332] Neuropsychiatric agent DG01967 Antiparkinson agent D10825 Opicapone Target-based classification of drugs [BR:br08310] Enzymes Transferases (EC2) Methyltransferases COMT D10825 Opicapone (JAN/USAN/INN) <JP/US> New drug approvals in the USA [br08319.html] New molecular entities and new therapeutic biological products D10825 New drug approvals in Europe [br08329.html] European public assessment reports (EPAR) authorised medicine D10825 New drug approvals in Japan [br08318.html] Drugs with new active ingredients D10825 New drug approvals in the USA, Europe and Japan [br08328.html] Approval dates by FDA, EMA and PMDA D10825 Drug metabolizing enzymes and transporters [br08309.html] Drug metabolizing enzymes D10825 | ||||||
| Other DBs |
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| KCF data | ATOM 27 1 C8y C 17.2900 -16.1700 2 C8y C 17.2900 -14.7700 3 C8x C 16.1000 -14.0700 4 C8y C 14.8400 -14.7700 5 C8x C 14.8400 -16.1700 6 C8y C 16.1000 -16.8700 7 C8y C 13.6500 -14.0700 8 O1a O 16.1000 -18.2700 9 O1a O 18.4800 -16.8700 10 N2b N 18.4800 -14.0700 #+ 11 O2x O 13.2300 -12.7400 12 N5x N 11.8300 -12.7400 13 C8y C 11.4100 -14.0700 14 N5x N 12.5300 -14.9100 15 C8y C 10.2200 -16.1700 16 C8y C 10.2200 -14.7700 17 C8y C 9.0300 -14.0700 18 N4y N 7.7700 -14.7700 19 C8y C 7.7700 -16.1700 20 C8y C 9.0300 -16.8700 21 X Cl 9.0300 -18.2700 22 C1a C 6.5800 -16.8700 23 C1a C 11.4100 -16.8700 24 O3a O 6.5800 -14.0700 25 X Cl 9.0300 -12.6700 26 O3a O 19.6700 -14.7700 #- 27 O3a O 18.4800 -12.6700 BOND 29 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 4 7 1 8 6 8 1 9 1 9 1 10 2 10 1 11 7 11 1 12 11 12 1 13 12 13 2 14 13 14 1 15 14 7 2 16 15 16 1 17 16 17 2 18 17 18 1 19 18 19 2 20 19 20 1 21 15 20 2 22 20 21 1 23 19 22 1 24 15 23 1 25 18 24 2 26 17 25 1 27 16 13 1 28 10 26 1 29 10 27 2 |