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Compound Detail

CHEMBL256536

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COc1cc([C@@H]2Oc3cc(/C=C/C=O)cc(OC)c3O[C@H]2CO)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL256536
Phase Preclinical
Structure Type MOL
InChI Key PNWVFJGJKJOSBG-YQHFQFMOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
2.49
ALogP
7
HBA
2
HBD
94.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H20O7
MW 372.37
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 1.98

Literature References

PubMed DOI Target Context # Activities
18211005 10.1021/np070594k NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine