General
Preferred name
OR-486
Synonyms
3,5-Dinitrocatechol ()
3,5-DINITROCATECHOL (OR-486) ()
P&D ID
PD002736
CAS
7659-29-2
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
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 Selective inhibitor of catechol O-methyl ;transferase (COMT). (LOPAC library)
DESCRIPTION Polyamine synthase inhibitor (Tocris Bioactive Compound Library)
DESCRIPTION Catechol-O-methyl transferase inhibitor (Tocriscreen Total)
Cell lines
0
Organisms
1
Compound Sets
9
Cayman Chemical Bioactives
29180
Drug Repurposing Hub
DrugBank
DB02105
DrugMAP
DMBGSHD
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
EOS102006
LOPAC library
Tocris Bioactive Compound Library
0483
Tocriscreen Total
External IDs
22
Properties
(calculated by RDKit )
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
Source data