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Compound Detail

CHEMBL5288695

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CO[C@@H](CCc1ccc(O)cc1)CC(=O)CCc1ccc(O)cc1

Basic Information

ChEMBL ID CHEMBL5288695
Phase Preclinical
Structure Type MOL
InChI Key PASZRDILCDRSOZ-FQEVSTJZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
3.64
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H24O4
MW 328.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.30

Activity Summary

IC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
IC50 4.82 4.82 15200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 15200.0 nM 4.82 Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... 33422907

Literature References

PubMed DOI Target Context # Activities
33422907 10.1016/j.bmc.2020.115971 RAW264.7 1

Data from ChEMBL 36 via Core Engine