General
Preferred name
NITECAPONE
Synonyms
OR-462 ()
Nitecapona ()
P&D ID
PD017469
CAS
116313-94-1
Tags
available
drug candidate
Drug indication
Pain
Drug Status
investigational
Max Phase
2.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Nitecapone (OR-462) is an orally active and short-acting catechol-O-methyltransferase (COMT) inhibitor with gastroprotective and antioxidant properties. Nitecapone (OR-462) scavenges reactive oxygen and nitric radicals and prevents lipid peroxidation[1][2][3].
PRICE 107
DESCRIPTION Nitecapone is a catechol-O-methyltransferase (COMT) inhibitor exhibiting antioxidant and gastroprotective properties. It is a potential therapeutic agent for Parkinson's disease. Study has shown that nitecapone decreased neuropathic pain in the spinal nerve ligation (SNL) model. (BOC Sciences Bioactive Compounds)
DESCRIPTION Nitecapone is a reversible inhibitor of S-COMT (IC50 values of 300 nM in rat liver) (TargetMol Bioactive Compound Library)
Compound Sets
9
BOC Sciences Bioactive Compounds
nitecapone-cas-116313-94-1-item-121171
Cayman Chemical Bioactives
18656
ChEMBL Drugs
CHEMBL167055
Drug Repurposing Hub
DrugMAP
DMSJYEX
DrugMatrix
MedChem Express Bioactive Compound Library
HY-106842
ReFrame library
TargetMol Bioactive Compound Library
T7831
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
265.06
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
1
cLogP
1.57
TPSA
117.74
Fraction CSP3
0.17
Chiral centers
0.0
Largest ring
6.0
QED
0.21
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
COMT
S-COMT
MOA
catechol O methyltransferase inhibitor
Pathway
Metabolism
Metabolic Enzyme/Protease
Neuronal Signaling
Source data