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Compound Detail

CHEMBL464108

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COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL464108
Phase Preclinical
Structure Type MOL
InChI Key YLSUKCVZCXUJBF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
3.18
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H14O5
MW 298.29
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 1.20

Literature References

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

Data from ChEMBL 36 via Core Engine