General
Preferred name
PRAVADOLINE
Synonyms
Pravadoline (WIN 48098) ()
PRAVADOLINE MALEATE ()
WIN-48098-6 ()
WIN 48,098-6 ()
P&D ID
PD014688
CAS
92623-84-2
92623-83-1
Tags
available
drug candidate
Drug indication
Analgesic
Discovery agent
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 Pravadoline is a COX inhibitor and cannabinoid CB agonist used as an anti-inflammatory and analgesic agent. It inhibits prostaglandin synthesis, and it also suppresses neuronally stimulated contractions in mouse model, which differs from NSAIDs. (BOC Sciences Bioactive Compounds)
Cell lines
0
Organisms
1
Compound Sets
10
AdooQ Bioactive Compound Library
Axon Medchem Screening Library
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
Drug Repurposing Hub
DrugMAP
DrugMatrix
NPC Screening Collection
ReFrame library
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
378.19
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
6
Ring Count
4
Aromatic Ring Count
3
cLogP
3.52
TPSA
43.7
Fraction CSP3
0.35
Chiral centers
0.0
Largest ring
6.0
QED
0.62
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
CNR1, CNR2
COX inhibitor
CB agonist
MOA
cyclooxygenase inhibitor
Source data