Compound Detail

CHEMBL98269

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

COc1cc2cc3[nH]c(O)nc3nc2cc1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL98269
Phase	Preclinical
Structure Type	MOL
InChI Key	CKJZPMFALWTSJS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

245.2

MW (Da)

1.83

ALogP

HBA

HBD

80.3

PSA (Å²)

0.72

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 6.48

IC50 2 meas. best 8.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphodiesterase 3 CHEMBL2094125	IC50	8.3	8.3	5.0	1
Oryctolagus cuniculus CHEMBL374	EC50	6.48	6.38	330.0	2
Unchecked CHEMBL612545	IC50	4.16	4.16	70000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Phosphodiesterase 3	IC50	=	5.0	nM	8.3	Inhibition of hydrolysis of c-AMP phosphodiesterase in human platelets	1654430
Oryctolagus cuniculus	EC50	=	330.0	nM	6.48	Inhibition of platelet aggregation induced by collagen in rabbit platelet rich p...	1654430
Oryctolagus cuniculus	EC50	=	530.0	nM	6.28	Inhibition of platelet aggregation induced by ADP in rabbit platelet rich plasma	1654430
Unchecked	IC50	=	70000.0	nM	4.16	Inhibition cGMP hydrolysis by human platelet phosphodiesterase	1654430

PubMed	DOI	Target Context	# Activities
1654430	10.1021/jm00113a033	Oryctolagus cuniculus	2
1654430	10.1021/jm00113a033	Phosphodiesterase 3	1
1654430	10.1021/jm00113a033	Unchecked	1
1654430	10.1021/jm00113a033	Rattus norvegicus	1

Data from ChEMBL 36 via Core Engine