Compound Detail

CHEMBL585724

OCOPHYLOL A

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C=CCC1=C[C@@]2(OC)[C@H](C)[C@@H](c3ccc4c(c3)OCO4)[C@H](C1=O)[C@H]2O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL585724
Name	OCOPHYLOL A
Phase	Preclinical
Structure Type	MOL
InChI Key	ARFBOYDNJXQGTO-IXYCQQMVSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

342.4

MW (Da)

2.60

ALogP

HBA

HBD

65.0

PSA (Å²)

0.85

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 6 meas. best 5.51

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.51	4.925	3080.0	2
Prostaglandin G/H synthase 1 CHEMBL2949	IC50	4.05	4.05	88600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	IC50	=	3080.0	nM	5.51	Antiplatelet activity in rabbit platelets assessed as inhibition of platelet act...	19880317
NON-PROTEIN TARGET	IC50	=	45600.0	nM	4.34	Antiplatelet activity in rabbit platelets assessed as inhibition of arachidonic ...	19880317
Prostaglandin G/H synthase 1	IC50	=	88600.0	nM	4.05	Inhibition of ovine COX-1 assessed as inhibition of transformation of AA to PGH2...	19880317

PubMed	DOI	Target Context	# Activities
19880317	10.1016/j.bmcl.2009.10.069	NON-PROTEIN TARGET	3
19880317	10.1016/j.bmcl.2009.10.069	Unchecked	2
19880317	10.1016/j.bmcl.2009.10.069	Prostaglandin G/H synthase 1	1
19880317	10.1016/j.bmcl.2009.10.069	Prostaglandin G/H synthase 2	1

Data from ChEMBL 36 via Core Engine