Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0Y7PG
|
|||
| Former ID |
DAP000607
|
|||
| Drug Name |
Tolcapone
|
|||
| Synonyms |
Tasmar; Roche brand of tolcapone; Ro 40-7592; Tasmar (TN); Tolcapone [USAN:INN]; Ro-40-7592; Tolcapone (JAN/USAN/INN); Methanone,(3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl); (3,4-Dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone; (3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone; 3,4-Dihydroxy-4'-methyl-5-nitrobenzophenone; 3,4-dihydroxy-5'-methyl-5-nitrobenzophenone
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Parkinson disease [ICD-11: 8A00.0; ICD-9: 332] | Approved | [1], [2] | |
| Therapeutic Class |
Antiparkinson Agents
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C14H11NO5
|
|||
| Canonical SMILES |
CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]
|
|||
| InChI |
1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3
|
|||
| InChIKey |
MIQPIUSUKVNLNT-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 134308-13-7
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
10150, 591969, 6867176, 7847851, 7979465, 9606603, 11528675, 12014507, 15221967, 36965801, 46504932, 48416644, 50126317, 53789624, 57357233, 57394327, 77396301, 92308890, 92719235, 93166190, 99452900, 103412696, 104004042, 113211425, 118048594, 124893730, 125728425, 126573748, 126620976, 126653872, 126666929, 126732537, 128601362, 134220789, 134337898, 135029479, 135610139, 137001454, 138121037, 138139359, 144206516, 144212731, 152041747, 160963671, 162110971, 162176782, 163122304, 163621082, 163686405, 164178033
|
|||
| ChEBI ID |
CHEBI:63630
|
|||
| ADReCS Drug ID | BADD_D02241 | |||
| SuperDrug ATC ID |
N04BX01
|
|||
| SuperDrug CAS ID |
cas=134308137
|
|||
| Interaction between the Drug and Microbe | Top | |||
|---|---|---|---|---|
| The Metabolism of Drug Affected by Studied Microbe(s) | ||||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Gut microbiota | ||||
| Studied Microbe: Gut microbiota unspecific | [3] | |||
| Metabolic Reaction | Nitroreduction and N-acetylation | |||
| Experimental Method | High-throughput screening | |||
| Description | Tolcapone can be metabolized by gut microbiota through nitroreduction and N-acetylation. | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Catechol-O-methyl-transferase (COMT) | Target Info | Inhibitor | [4], [5] |
| BioCyc | L-dopa degradation | |||
| Dopamine degradation | ||||
| Noradrenaline and adrenaline degradation | ||||
| KEGG Pathway | Steroid hormone biosynthesis | |||
| Tyrosine metabolism | ||||
| Metabolic pathways | ||||
| Dopaminergic synapse | ||||
| Panther Pathway | Adrenaline and noradrenaline biosynthesis | |||
| Dopamine receptor mediated signaling pathway | ||||
| Pathwhiz Pathway | Tyrosine Metabolism | |||
| WikiPathways | Methylation Pathways | |||
| Metapathway biotransformation | ||||
| Estrogen metabolism | ||||
| Biogenic Amine Synthesis | ||||
| Dopamine metabolism | ||||
| Phase II conjugation | ||||
| Neurotransmitter Clearance In The Synaptic Cleft | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6646). | |||
| REF 2 | Drugs used to treat Parkinson's disease, present status and future directions. CNS Neurol Disord Drug Targets. 2008 Oct;7(4):321-42. | |||
| REF 3 | Personalized Mapping of Drug Metabolism by the Human Gut Microbiome. Cell. 2020 Jun 25;181(7):1661-1679.e22. | |||
| REF 4 | Catechol-O-methyltransferase inhibitors in the management of Parkinson's disease. Semin Neurol. 2001;21(1):15-22. | |||
| REF 5 | Tolcapone: a novel approach to Parkinson's disease. Am J Health Syst Pharm. 1999 Nov 1;56(21):2195-205. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.