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Compound Detail

CHEMBL6341

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CCCC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1

Basic Information

ChEMBL ID CHEMBL6341
Phase Preclinical
Structure Type MOL
InChI Key IWRWPHXCANDKPP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

574.6
MW (Da)
3.05
ALogP
10
HBA
0
HBD
122.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H38N2O10
MW 574.63
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness -0.42

Activity Summary

IC50 1 meas. best 6.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 6.38 6.38 420.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor IC50 = 420.0 nM 6.38 Inhibition of PAF-induced rabbit platelet aggregation 8478911

Literature References

PubMed DOI Target Context # Activities
8478911 10.1021/jm00060a006 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine