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Compound Detail

CHEMBL267229

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COc1cc(N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC

Basic Information

ChEMBL ID CHEMBL267229
Phase Preclinical
Structure Type MOL
InChI Key VCGBVLOXSFYYES-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
3.06
ALogP
8
HBA
0
HBD
61.9
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 C22H30N2O6
MW 418.49
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.29

Activity Summary

IC50 1 meas. best 4.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 4.9 4.9 12500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor IC50 = 12500.0 nM 4.9 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