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Compound Detail

CHEMBL269787

ECOPLADIB
🧪 Phase II
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🧪 Phase II
O=C(O)c1ccc(OCCc2c(CCNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL269787
Name ECOPLADIB
Phase Phase II
Structure Type MOL
InChI Key FMMCHWHNSUBYAV-UHFFFAOYSA-N

Known Names

Ecopladib PLA-725
5
Targets
16
Activities
2
Assay Types
9
PK Parameters
17
Publications
2
Known Names

Molecular Properties

748.1
MW (Da)
9.22
ALogP
5
HBA
2
HBD
97.6
PSA (Ų)
0.12
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -pladib
USAN Year 2004

Extended Properties

Molecular Formula C39H33Cl3N2O5S
MW 748.13
Aromatic Rings 6
Heavy Atoms 50
NP-Likeness -1.00

Activity Summary

IC50 15 meas. best 7.7
Kd 1 meas. best 6.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MC9
CHEMBL614867
 IC50 7.7 7.7 20.0 5
Blood
CHEMBL613615
 IC50 6.96 6.9067 110.0 3
Cytosolic phospholipase A2
CHEMBL3816
 Kd 6.86 6.86 139.0 1
Cytosolic phospholipase A2
CHEMBL3816
 IC50 6.82 6.82 150.0 2
Unchecked
CHEMBL612545
 IC50 6.82 6.81 150.0 2
Blood
CHEMBL613416
 IC50 6.52 6.52 300.0 3

Pharmacokinetic Data

Parameter Value Units Species
CL 14.0 mL.min-1.kg-1 Rattus norvegicus
CL 14.0 mL.min-1.kg-1 Rattus norvegicus
F 29.0 % Rattus norvegicus
F 8.0 % Rattus norvegicus
F 6.3 % Rattus norvegicus
F 12.0 % Rattus norvegicus
F 16.0 % Rattus norvegicus
F 19.0 % Rattus norvegicus
F 6.0 % Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MC9 IC50 = 20.0 nM 7.7 Inhibition of PGF2-alpha production in mouse MC9 cells 17305324
MC9 IC50 = 20.0 nM 7.7 Inhibition of LTB4 production in mouse MC9 cells 17305324
MC9 IC50 = 20.0 nM 7.7 Inhibition of LTC4 production in mouse MC9 cells 17305324
MC9 IC50 = 20.0 nM 7.7 Inhibition of LTD4 production in mouse MC9 cells 17305324
MC9 IC50 = 20.0 nM 7.7 Inhibition of LTE4 production in mouse MC9 cells 17305324
Blood IC50 = 110.0 nM 6.96 Inhibition of A-23187-stimulated TXB2 production in Sprague-Dawley rat whole blo... 17305324
Blood IC50 = 110.0 nM 6.96 Inhibition of A23187-induced TBX2 release in Sprague-Dawley rat whole blood 19178292
Cytosolic phospholipase A2 Kd = 139.0 nM 6.86 Binding affinity to human cPLA2 alpha by isothermal calorimetry 17305324
Cytosolic phospholipase A2 IC50 = 150.0 nM 6.82 Inhibition of human cPLA2 alpha by GLU micelle assay 17305324
Unchecked IC50 = 150.0 nM 6.82 Inhibition of cytosolic phospholipase A2alpha by GLU micelle assay 18498150
Cytosolic phospholipase A2 IC50 = 150.0 nM 6.82 Inhibition of human cytosolic PLA2alpha by GLU micelle assay 19178292
Unchecked IC50 = 160.0 nM 6.8 Inhibition of cPLA2-alpha in Sprague-Dawley rat whole blood assay in presence of... 17998165
Blood IC50 = 160.0 nM 6.8 Inhibition of TXB2 production in Sprague-Dawley rat whole blood 18498150
Blood IC50 = 300.0 nM 6.52 Inhibition of A-23187-stimulated 12-HETE production in human whole blood 17305324
Blood IC50 = 300.0 nM 6.52 Inhibition of A-23187-stimulated 15-HETE production in human whole blood 17305324
Blood IC50 = 300.0 nM 6.52 Inhibition of A-23187-stimulated PAF production in human whole blood 17305324

Literature References

PubMed DOI Target Context # Activities
17305324 10.1021/jm061131z Rattus norvegicus 9
17305324 10.1021/jm061131z Blood 8
17305324 10.1021/jm061131z MC9 6
17305324 10.1021/jm061131z Cytosolic phospholipase A2 4
18498150 10.1021/jm701467e Rattus norvegicus 4
18498150 10.1021/jm701467e Mus musculus 2
18498150 10.1021/jm701467e Unchecked 2
19178292 10.1021/jm8009876 Blood 1
19178292 10.1021/jm8009876 Cytosolic phospholipase A2 1
18498150 10.1021/jm701467e Blood 1
17998165 10.1016/j.bmc.2007.10.060 Rattus norvegicus 1
17998165 10.1016/j.bmc.2007.10.060 Unchecked 1
17305324 10.1021/jm061131z Prostaglandin G/H synthase 2 1
17305324 10.1021/jm061131z Prostaglandin G/H synthase 1 1
17305324 10.1021/jm061131z Unchecked 1
17305324 10.1021/jm061131z Cytosolic phospholipase A2 gamma 1
17305324 10.1021/jm061131z Cytosolic phospholipase A2 beta 1

Data from ChEMBL 36 via Core Engine