General
Preferred name
OR-486
Synonyms
3,5-Dinitrocatechol ()
3,5-Dinitropyrocatechol ()
3,5-DINITROCATECHOL (OR-486) ()
3,5-Dinitrocathecol ()
P&D ID
PD002736
CAS
7659-29-2
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
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
3,5-Dinitrocatechol (OR-486) is a potent catechol-O-methyltransferase inhibitor, with an IC50 of 12 nM. 3,5-Dinitrocatechol can be used in the preparation of the molybdenum (VI)- 3,5-Dinitrocatechol complex[1][2][3].
PRICE
29
DESCRIPTION
Selective inhibitor of catechol O-methyl ;transferase (COMT).
(LOPAC library)
DESCRIPTION
Catechol-O-methyl transferase inhibitor
(Tocriscreen Total)
DESCRIPTION
Polyamine synthase inhibitor
(Tocris Bioactive Compound Library)
DESCRIPTION
3,5-Dinitrocatechol is a potent catechol O-methyltransferase (COMT) inhibitor. It is selective for COMT over tyrosine hydroxylase, dopamine beta-monooxygenase, monoamine oxidase A (MAO-A), and MAO-B.
(Enamine Bioactive Compounds)
DESCRIPTION
OR-486 is an inhibitor of catechol-O-methyl-transferase(COMT) and can be used to prepare the molybdenum (VI)- 3,5-Dinitrocatechol complex.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
12
Cayman Chemical Bioactives
Drug Repurposing Hub
DrugBank
DrugMAP
DrugMatrix
Enamine Bioactive Compounds
EU-OPENSCREEN Bioactive Compound Library
LOPAC library
MedChem Express Bioactive Compound Library
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
Tocriscreen Total
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Molecular Weight
200.01
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
0.91
TPSA
126.74
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.41
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
COMT
Primary Target
Catechol O-Methyltransferase
MOA
Inhibitor
catechol O methyltransferase inhibitor
Pathway
Metabolism
Metabolic Enzyme/Protease
Neuronal Signaling
Source data
