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Compound Detail

CHEMBL3099357

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C=C1CO[C@H]2/C=C(\C)CC[C@@H](O)[C@@](C)(O)C/C=C/[C@@](C)(O)CC[C@@]12O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3099357
Phase Preclinical
Structure Type MOL
InChI Key QWQCCBLIKLMUJQ-LXWHCTNBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.5
MW (Da)
2.00
ALogP
5
HBA
4
HBD
90.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H32O5
MW 352.47
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 3.02

Literature References

PubMed DOI Target Context # Activities
24314396 10.1016/j.bmcl.2013.11.033 Unchecked 1

Data from ChEMBL 36 via Core Engine