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Compound Detail

CHEMBL4521246

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CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1

Basic Information

ChEMBL ID CHEMBL4521246
Phase Preclinical
Structure Type MOL
InChI Key CCRXMHCQWYVXTE-HMRSNRLKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

929.1
MW (Da)
-0.25
ALogP
18
HBA
11
HBD
295.0
PSA (Ų)
0.08
QED
3
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C47H76O18
MW 929.11
Aromatic Rings 0
Heavy Atoms 65
NP-Likeness 2.49

Literature References

PubMed DOI Target Context # Activities
30808589 10.1016/j.bmcl.2019.02.022 RAW264.7 2
31301930 10.1016/j.bmcl.2019.07.010 RAW264.7 1
33131725 10.1016/j.ejmech.2020.112932 AMP-activated protein kinase, AMPK 1
37453188 10.1016/j.bmc.2023.117408 Jurkat 1
37453188 10.1016/j.bmc.2023.117408 MT2 1

Data from ChEMBL 36 via Core Engine