Compound Detail

CHEMBL296973

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CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c1C(=O)OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL296973
Phase	Preclinical
Structure Type	MOL
InChI Key	VGVUQNMRGKNUJA-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

631.8

MW (Da)

8.19

ALogP

HBA

HBD

98.0

PSA (Å²)

0.05

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 6.27

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Oryctolagus cuniculus CHEMBL374	IC50	6.27	6.27	540.0	1
Platelet-activating factor receptor CHEMBL5136	IC50	6.27	6.27	540.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Oryctolagus cuniculus	IC50	=	540.0	nM	6.27	Concentration required to inhibit PAF (5*10e-8 M) induced platelet aggregation i...	1336052
Platelet-activating factor receptor	IC50	=	540.0	nM	6.27	Inhibition of PAF-induced platelet aggregation in rabbit platelet rich plasma	8496938
Platelet-activating factor receptor	IC50	=	540.0	nM	6.27	Inhibition of PAF induced platelet aggregation in rabbit	1578493

PubMed	DOI	Target Context	# Activities
1578493	10.1021/jm00087a023	Oryctolagus cuniculus	3
1336052	10.1021/jm00104a002	Mus musculus	2
8496938	10.1021/jm00057a008	Platelet-activating factor receptor	2
1578493	10.1021/jm00087a023	Mus musculus	2
1336052	10.1021/jm00104a002	Oryctolagus cuniculus	1
8496938	10.1021/jm00057a008	Oryctolagus cuniculus	1
1578493	10.1021/jm00087a023	Platelet-activating factor receptor	1

Data from ChEMBL 36 via Core Engine