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Compound Detail

CHEMBL1669433

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COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@](C)(O)[C@@H](C)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1669433
Phase Preclinical
Structure Type MOL
InChI Key YEFOAORQXAOVJQ-RKNYENMMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
3.89
ALogP
7
HBA
1
HBD
75.6
PSA (Ų)
0.74
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 C24H32O7
MW 432.51
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 1.32

Literature References

PubMed DOI Target Context # Activities
27919656 10.1016/j.bmcl.2016.11.069 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine