General
Preferred name
TOLCAPONE
Synonyms
Tasmar ()
Ro 40-7592 ()
Tolcapona ()
Ro-407592 ()
Ro-40-7592 ()
Tolcapone-d4 ()
P&D ID
PD010101
CAS
134308-13-7
1246816-93-2
Tags
available
drug
Approved by
FDA
First approval
1997
1998
Drug indication
Parkinson disease
Antiparkinsonian
Drug Status
withdrawn
approved
Max Phase
4.0
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Tolcapone is a selective, potent and reversible nitro catechol type inhibitor of enzyme catechol-O-methyl transferase (COMT). As a result of reported hepatoxicity complications tolcapone has been withdrawn from the market in a number of countries.
(GtoPdb)
DESCRIPTION
Potent and selective p38alpha/beta inhibitor
(Tocris Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
29
ChEMBL Approved Drugs
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
NCATS Inxight Approved Drugs
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
Withdrawn 2.0
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
46
Molecular Weight
273.06
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
2
cLogP
2.55
TPSA
100.67
Fraction CSP3
0.07
Chiral centers
0.0
Largest ring
6.0
QED
0.39
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Apoptosis
Metabolic Enzyme/Protease
Neuronal Signaling
Target
COMT
Amyloid-¦Â
Amyloid-β
COMT,Histone Methyltransferase,Transferase
Primary Target
Catechol O-Methyltransferase
MOA
Inhibitor
COMT Inhibitors
catechol O methyltransferase inhibitor
Member status
member
ATC
N04BX01
Toxicity type
hepatic
Therapeutic Class
Antiparkinson Agents
Source data
