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Compound Detail

CHEMBL4212250

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COc1ccc([C@@H]2COc3cc(O)ccc3C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4212250
Phase Preclinical
Structure Type MOL
InChI Key INYISIYHXQDCPK-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
2.76
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H14O4
MW 270.28
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 1.14

Literature References

PubMed DOI Target Context # Activities
29482940 10.1016/j.bmcl.2018.02.026 BV-2 1

Data from ChEMBL 36 via Core Engine