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Compound Detail

CHEMBL3358856

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CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1[C@H](O)[C@@]1(O)C4=C(CC[C@]31C)C(=O)OC4)[C@H]2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3358856
Phase Preclinical
Structure Type MOL
InChI Key YCJUIWPDUYMFHW-YWBLBPQYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
-0.81
ALogP
8
HBA
3
HBD
124.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24O8
MW 392.40
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 2.79

Literature References

PubMed DOI Target Context # Activities
25467158 10.1016/j.bmcl.2014.10.069 U-251 1
25467158 10.1016/j.bmcl.2014.10.069 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine