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Compound Detail

CHEMBL255299

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COc1cc([C@@H]2Oc3cc(/C=C/C=O)cc(O)c3O[C@H]2CO)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL255299
Phase Preclinical
Structure Type MOL
InChI Key ADJSJZWPHSSENG-OJBOGMDESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
2.50
ALogP
8
HBA
2
HBD
103.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H22O8
MW 402.40
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 1.82

Literature References

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

Data from ChEMBL 36 via Core Engine