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Compound Detail

CHEMBL4071414

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CC1(C)[C@H]2CCC3=C(CC[C@](C)([C@@H](O)CO)C3)[C@]2(C)CC[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL4071414
Phase Preclinical
Structure Type MOL
InChI Key UBUHODALHOSHPW-AXFWTTGFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

484.6
MW (Da)
1.25
ALogP
8
HBA
6
HBD
139.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H44O8
MW 484.63
Aromatic Rings 0
Heavy Atoms 34
NP-Likeness 3.16

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