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Chemical structure of Ecopladib

GC30464

Ecopladib

Also listed as Ecopladib (PLA 725)

Ecopladib (PLA 725) is a sub-micromolar inhibitor of cytosolic phospholipase A2α (cPLA2α), with IC50s of 0·15 μM and 0·11 μM in the GLU micelle and rat whole blood assays, respectively

ChemicalCAS381683-92-7MW748.11FormulaC39H33Cl3N2O5S
CAS number
381683-92-7
Molecular weight
748.11
Formula
C39H33Cl3N2O5S
Solubility
Soluble in DMSO
InChIKey
FMMCHWHNSUBYAV-UHFFFAOYSA-N
Catalogue number
GC30464
Brand
GLPBIO
Computed properties PubChem CID 204106 · XLogP 9.5 · TPSA 106 Ų · H-bond donors 2
XLogP
9.5
TPSA
106 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
14
Heavy atoms
50

SMILES C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C4=C(C=C(C=C4)Cl)C(=C3CCNS(=O)(=O)CC5=CC(=C(C=C5)Cl)Cl)CCOC6=CC=C(C=C6)C(=O)O

Computed descriptors from PubChem (CID 204106), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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