Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0G4DE
|
|||
| Former ID |
DNC000313
|
|||
| Drug Name |
BIA 3-202
|
|||
| Synonyms |
Nebicapone; 274925-86-9; UNII-NM2KXJ990T; NM2KXJ990T; CHEMBL160038; Ethanone, 1-(3,4-dihydroxy-5-nitrophenyl)-2-phenyl-; BIA 3-202; Nebicapone [INN]; 1-(3,4-dihydroxy-5-nitrophenyl)-2-phenylethanone; SCHEMBL132167; ZINC8750; 1-(3,4-dihydroxy-5-nitro-phenyl)-2-phenyl-ethanone; CTK8H9559; DTXSID30181912; BIA-3-202; BDBM50108878; AKOS028111881; ACM274925869; FT-0703128
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Parkinson disease [ICD-11: 8A00.0; ICD-9: 332] | Phase 2 | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C14H11NO5
|
|||
| Canonical SMILES |
C1=CC=C(C=C1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]
|
|||
| InChI |
1S/C14H11NO5/c16-12(6-9-4-2-1-3-5-9)10-7-11(15(19)20)14(18)13(17)8-10/h1-5,7-8,17-18H,6H2
|
|||
| InChIKey |
MRFOLGFFTUGAEB-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 274925-86-9
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Catechol-O-methyl-transferase (COMT) | Target Info | Inhibitor | [2] |
| 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 | Effects of nebicapone on levodopa pharmacokinetics, catechol-O-methyltransferase activity, and motor fluctuations in patients with Parkinson disease. Clin Neuropharmacol. 2008 Jan-Feb;31(1):2-18. | |||
| REF 2 | Chemical synthesis and characterization of conjugates of a novel catechol-O-methyltransferase inhibitor. Bioconjug Chem. 2002 Sep-Oct;13(5):1112-8. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.