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Compound Detail

CHEMBL3754385

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COc1cc([C@@H]2OC[C@@]3(O)[C@H](c4ccc5c(c4)OCO5)OC[C@@H]23)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3754385
Phase Preclinical
Structure Type MOL
InChI Key XQHPVVHZGWCUCQ-KJYZGMDISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
2.32
ALogP
7
HBA
2
HBD
86.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20O7
MW 372.37
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 1.76

Literature References

PubMed DOI Target Context # Activities
26774654 10.1016/j.bmcl.2016.01.008 ADMET 1
26774654 10.1016/j.bmcl.2016.01.008 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine