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Compound Detail

CHEMBL4466758

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CC(C(=O)c1ccc2c(c1)OCO2)[C@H](C)Cc1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4466758
Phase Preclinical
Structure Type MOL
InChI Key CQXBMXDDWLNDQB-PZORYLMUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
3.84
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H20O5
MW 340.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.37

Literature References

PubMed DOI Target Context # Activities
31642320 10.1021/acs.jnatprod.9b00520 RAW264.7 2

Data from ChEMBL 36 via Core Engine