General
Preferred name
(S)-WILLARDIINE
Synonyms
S(-)-Willardiine ()
(-)-Willardiine ()
P&D ID
PD002594
CAS
21416-43-3
Tags
drug candidate
natural product
available
Drug indication
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 AMPA/kainate glutamate receptor agonist (LOPAC library)
DESCRIPTION The (S)- but not (R)-isomers of willardiine and 5-bromowillardiine were potent agonists, producing rapidly but incompletely desensitizing responses. At a concentration of 1.8 mM, Ca2+ inhibited the currents induced by 100 microM willardiine by approximately 50%.
In newborn mice (P5, histopathology at P10), local injection of the AMPA receptor agonist S-bromo-willardiine at day 5 after birth induced cortical damage and white matter damage, which was reduced in a dose-dependent manner by the AMPA receptor antagonists. (BOC Sciences Bioactive Compounds)
Compound Sets
5
BOC Sciences Bioactive Compounds
s-willardiine-cas-21416-43-3-item-84-174470
DrugMAP
DMXQ47M
LOPAC library
MedChem Express Bioactive Compound Library
HY-12499
ZINC Tool Compounds
ZINC000000901774
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
199.06
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
-2.05
TPSA
118.18
Fraction CSP3
0.29
Chiral centers
1.0
Largest ring
6.0
QED
0.52
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
AMPA/kainate
Pathway
Membrane Transporter/Ion Channel
Neuronal Signaling
Target
iGluR
Source data