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Compound Detail

CHEMBL36269

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COc1cc([C@@H]2CC[C@H](OCCCc3cccnc3)O2)cc(OC)c1OC

Basic Information

ChEMBL ID CHEMBL36269
Phase Preclinical
Structure Type MOL
InChI Key YHPMSNPULLVNAA-FXAWDEMLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
3.93
ALogP
6
HBA
0
HBD
59.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27NO5
MW 373.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.44

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80006-2 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine