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Compound Detail

CHEMBL5173925

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COc1ccc([C@@H]2CC(=O)c3cc(OC)cc(OC)c32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5173925
Phase Preclinical
Structure Type MOL
InChI Key OYJBHGSSAJNKJF-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
3.43
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18O4
MW 298.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.57

Literature References

PubMed DOI Target Context # Activities
35442672 10.1021/acs.jmedchem.1c02198 RAW264.7 1

Data from ChEMBL 36 via Core Engine