General
Preferred name
KH064
Synonyms
sPLA2 Inhibitor ()
P&D ID
PD017789
CAS
393569-31-8
Tags
available
drug candidate
Drug indication
Breast cancer
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 KH064, a D-tyrosine derivative, is an orally active, potent secretory phospholipase A2 (sPLA2) inhibitor with an IC50 of 29 nM for human nonpancreatic secretory PLA2 isoform IIa (hnpsPLA2-IIa). KH064 has anti-inflammatory activity[1].
DESCRIPTION sPLA2 Inhibitor is an orally active inhibitor of secreted phospholipases A2 IIA (sPLA2-IIA). It exhibits anti-inflammatory effects, and attenuates NF-κB signaling in lung cancer cells and protects against diet-induced metabolic syndrome in rats. (BOC Sciences Bioactive Compounds)
Compound Sets
6
BOC Sciences Bioactive Compounds
spla2-inhibitor-cas-393569-31-8-item-115502
Cayman Chemical Bioactives
17277
DrugBank
DB04287
DrugMAP
DMR1NYF
Guide to Pharmacology
6703
MedChem Express Bioactive Compound Library
HY-11059
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
487.27
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
16
Ring Count
3
Aromatic Ring Count
3
cLogP
6.35
TPSA
75.63
Fraction CSP3
0.35
Chiral centers
1.0
Largest ring
6.0
QED
0.23
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Phospholipase
Pathway
Metabolic Enzyme/Protease
Source data