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Compound Detail

CHEMBL56856

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COc1ccc(C2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL56856
Phase Preclinical
Structure Type MOL
InChI Key JLJAVUZBHSLLJL-LXJSADORSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

372.5
MW (Da)
4.81
ALogP
5
HBA
0
HBD
46.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H28O5
MW 372.46
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.67

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
 IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor IC50 = 200.0 nM 6.7 Inhibition of PAF receptor binding to rabbit platelet plasma membranes 3020247

Literature References

PubMed DOI Target Context # Activities
3020247 10.1021/jm00160a020 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine