Compound Detail

CHEMBL88265

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O=C(O)CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL88265
Phase	Preclinical
Structure Type	MOL
InChI Key	SBROBXGDSYTTES-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

285.3

MW (Da)

2.57

ALogP

HBA

HBD

99.1

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 4.68

IC50 2 meas. best 7.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphodiesterase 3 CHEMBL2094125	IC50	7.7	7.7	20.0	1
cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652	IC50	5.0	5.0	10000.0	1
Oryctolagus cuniculus CHEMBL374	EC50	4.68	4.68	21000.0	1
P2Y purinoceptor 12 CHEMBL2001	EC50	4.2	4.2	63100.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Phosphodiesterase 3	IC50	=	20.0	nM	7.7	Inhibition of human platelet PDE by inhibiting cyclic Adenosine monophosphate (c...	1321910
cGMP-dependent 3',5'-cyclic phosphodiesterase	IC50	=	10000.0	nM	5.0	Inhibition of human platelet PDE by inhibiting cyclic Guanosine monophosphate (c...	1321910
Oryctolagus cuniculus	EC50	=	21000.0	nM	4.68	Inhibition of platelet aggregation using collagen as activating agent in rabbit ...	1321910
P2Y purinoceptor 12	EC50	=	63100.0	nM	4.2	Inhibition of platelet aggregation using Adenosine diphosphate (ADP) as activati...	1321910

PubMed	DOI	Target Context	# Activities
1321910	10.1021/jm00092a019	P2Y purinoceptor 12	2
1321910	10.1021/jm00092a019	Phosphodiesterase 3	1
1321910	10.1021/jm00092a019	cGMP-dependent 3',5'-cyclic phosphodiesterase	1
1321910	10.1021/jm00092a019	Oryctolagus cuniculus	1

Data from ChEMBL 36 via Core Engine