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Compound Detail

CHEMBL4081267

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Oc1cc(O)c2c(c1)C1C(c3cc(O)cc(O)c3[C@H]1c1ccc(O)c(O)c1)[C@@H]2c1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4081267
Phase Preclinical
Structure Type MOL
InChI Key OUDYWAFAPCRIEI-QULSYZCUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

486.5
MW (Da)
4.49
ALogP
8
HBA
8
HBD
161.8
PSA (Ų)
0.19
QED
1
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 C28H22O8
MW 486.48
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness 0.97

Literature References

PubMed DOI Target Context # Activities
28911817 10.1016/j.bmcl.2017.08.047 BV-2 1

Data from ChEMBL 36 via Core Engine