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Compound Detail

CHEMBL291332

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COc1cc(C2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC

Basic Information

ChEMBL ID CHEMBL291332
Phase Preclinical
Structure Type MOL
InChI Key YCCPYTPBHUIHGW-AAFJCEBUSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
4.33
ALogP
7
HBA
0
HBD
64.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28O7
MW 404.46
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.42

Activity Summary

IC50 2 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 6.75 6.75 180.0 1
Platelet-activating factor receptor
CHEMBL5136
IC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
3020247 10.1021/jm00160a020 Platelet-activating factor receptor 1
3339617 10.1021/jm00397a034 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine