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Compound Detail

CHEMBL3422282

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COc1cc(C(=O)c2c(O)cc3c(c2OC)C=CC(C)(C)O3)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3422282
Phase Preclinical
Structure Type MOL
InChI Key RNYNDGYJDSVNNS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
3.53
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H20O6
MW 356.37
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 1.77

Literature References

PubMed DOI Target Context # Activities
25625705 10.1021/np5007873 No relevant target 5

Data from ChEMBL 36 via Core Engine