General
Preferred name
CAY10606
Synonyms
P&D ID
PD021219
CAS
1159576-98-3
Tags
available
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 Arachidonate 5-lipoxygenase, also known as ALOX5, 5-lipoxygenase, 5-LOX, or 5-LO, is a non-heme iron-containing enzyme that in humans is encoded by the ALOX5 gene. 5-LO initiates the synthesis of leukotrienes (LTs) from arachidonic acid, primarily in certain leukocyte populations. CAY10606 is a potent, reversible inhibitor of 5-LO, both in cell-free assays (IC50 = 86 nM) and in intact neutrophils (IC50 = 230 nM). It prevents the production of LTs in whole blood, whether 5-LO is activated with the calcium ionophore A23187 with IC50 of 1.6 μM. (BOC Sciences Bioactive Compounds)
Compound Sets
2
BOC Sciences Bioactive Compounds
2-3-chlorophenyl-methyl-5-hydroxy-1h-benz-g-indole-3-carboxylic-cas-1159576-98-3-item-248752
Cayman Chemical Bioactives
13381
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
379.1
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
4
cLogP
5.45
TPSA
62.32
Fraction CSP3
0.14
Chiral centers
0.0
Largest ring
6.0
QED
0.46
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data