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Compound Detail

CHEMBL462898

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COc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL462898
Phase Preclinical
Structure Type MOL
InChI Key OGQSUSFDBWGFFJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.3
MW (Da)
2.29
ALogP
7
HBA
4
HBD
120.4
PSA (Ų)
0.57
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 C16H12O7
MW 316.27
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 1.59

Literature References

PubMed DOI Target Context # Activities
15043421 10.1021/np034011s Cyclin-dependent kinase 5 1

Data from ChEMBL 36 via Core Engine