General
Preferred name
PACOCF3
Synonyms
1,1,1-trifluoroheptadecan-2-one ()
Palmityltrifluoromethylketone ()
Palmityltrifluoromet?hylketone ()
Palmityl Trifluoromethyl Ketone ()
P&D ID
PD020879
CAS
141022-99-3
Tags
available
drug candidate
Drug indication
Discovery agent
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
PACOCF3 (Palmityltrifluoromet?hylketone) is a selective phospholipase A2 inhibitor with an IC50 of 3.8 ¦ÌM. PACOCF3 alters Ca2+ signaling in renal tubular cells[1][2].
PRICE
42
DESCRIPTION
PACOCF3 (Palmityltrifluoromethylketone) (Palmityltrifluoromet hylketone) is an inhibitor of Ca(2+)-independent phospholipase A2(PLA2) with an IC 50 of 3.8 ??M. PACOCF3 alters Ca 2+ signaling in renal tubular cells [1] [2].
DESCRIPTION
Phospholipase A2 inhibitor
(Tocriscreen Total)
DESCRIPTION
PTK is an analog of palmitic acid. It is a phospholipase A2 inhibitor.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
PACOCF3 (Palmityltrifluoromethylketone) (Palmityltrifluoromet hylketone) is an inhibitor of Ca(2+)-independent phospholipase A2(PLA2) with an IC 50 of 3.8 μM. PACOCF3 alters Ca 2+ signaling in renal tubular cells [1] [2].
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
7
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
Drug Repurposing Hub
DrugMAP
MedChem Express Bioactive Compound Library
TargetMol Bioactive Compound Library
Tocriscreen Total
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
24
Molecular Weight
308.23
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
14
Ring Count
0
Aromatic Ring Count
0
cLogP
6.6
TPSA
17.07
Fraction CSP3
0.94
Chiral centers
0.0
Largest ring
0.0
QED
0.33
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
phospholipase A2
PLA2G4A
Phospholipase
MOA
Phospholipase inhibitor
Pathway
Metabolic Enzyme/Protease
Metabolism
Source data
