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Compound Detail

CHEMBL4079508

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CC1(C)[C@H]2CCC3=C[C@@](C)(C=O)CC[C@H]3[C@]2(C)CC[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4079508
Phase Preclinical
Structure Type MOL
InChI Key WIIQAOJNIIJYGX-BLCOIHJSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

452.6
MW (Da)
1.95
ALogP
7
HBA
4
HBD
116.5
PSA (Ų)
0.29
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H40O7
MW 452.59
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 3.13

Literature References

PubMed DOI Target Context # Activities
28302401 10.1016/j.bmcl.2017.02.051 RAW264.7 1
28302401 10.1016/j.bmcl.2017.02.051 MDA-MB-231 1

Data from ChEMBL 36 via Core Engine