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Compound Detail

CHEMBL5084109

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COc1cc(O)cc2c1-c1c(O)cccc1C[C@@H]2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5084109
Phase Preclinical
Structure Type MOL
InChI Key WNJGXGRMQMBYKU-LBPRGKRZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
2.36
ALogP
4
HBA
3
HBD
69.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H14O4
MW 258.27
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 1.74

Literature References

PubMed DOI Target Context # Activities
34931827 10.1021/acs.jmedchem.1c01605 Unchecked 2
34931827 10.1021/acs.jmedchem.1c01605 HepG2 1

Data from ChEMBL 36 via Core Engine