ECOPLADIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C39H33Cl3N2O5S
Molecular Weight	748.114
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=CC=C(OCCC2=C(CCNS(=O)(=O)CC3=CC=C(Cl)C(Cl)=C3)N(C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(Cl)C=C26)C=C1

InChI

InChIKey=FMMCHWHNSUBYAV-UHFFFAOYSA-N

InChI=1S/C39H33Cl3N2O5S/c40-30-14-18-36-33(24-30)32(20-22-49-31-15-12-29(13-16-31)39(45)46)37(19-21-43-50(47,48)25-26-11-17-34(41)35(42)23-26)44(36)38(27-7-3-1-4-8-27)28-9-5-2-6-10-28/h1-18,23-24,38,43H,19-22,25H2,(H,45,46)

HIDE SMILES / InChI

Molecular Formula	C39H33Cl3N2O5S
Molecular Weight	748.114
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17305324

Ecopladib) is a sub-micromolar inhibitor of cytosolic phospholipase A2α (cPLA2α, type IVA phospholipase). Inhibitors of cPLA2alpha are predicted to be efficacious in treating asthma as well as the signs and symptoms of osteoarthritis, rheumatoid arthritis, and pain. It displayed oral efficacy in the rat carrageenan air pouch and rat carrageenan-induced paw edema models.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Cytosolic phospholipase A2 7 Target ID: P50393 Gene ID: NA Gene Symbol: Pla2g4a Target Organism: Rattus norvegicus (Rat) Sources: https://www.ncbi.nlm.nih.gov/pubmed/17305324	Inhibitor 8297		0.11 µM [IC50]

PubMed

Title	Date	PubMed
Discovery of Ecopladib, an indole inhibitor of cytosolic phospholipase A2alpha.	2007 Mar 22	17305324
In vitro allergen challenge of peripheral blood induces differential gene expression in mononuclear cells of asthmatic patients: inhibition of cytosolic phospholipase A2alpha overcomes the asthma-associated response.	2008 Oct	18665843

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:14:26 GMT 2023` Edited by `admin` on `Fri Dec 15 16:14:26 GMT 2023`
Record UNII	48TI67E57Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ECOPLADIB

Official Name

English

PLA-725

Code

English

BENZOIC ACID, 4-(2-(5-CHLORO-2-(2-((((3,4-DICHLOROPHENYL)METHYL)SULFONYL)AMINO)ETHYL)-1-(DIPHENYLMETHYL)-1H-INDOL-3-YL)ETHOXY)

Common Name

English

4-[2-[5-Chloro-2-[2-[[(3,4-dichlorobenzyl)sulfonyl]amino]ethyl]-1-(diphenylmethyl)-1H-indol-3-yl]ethoxy]benzoic acid

Common Name

English

ECOPLADIB [USAN]

Common Name

English

ecopladib [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C257