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Compound Detail

CHEMBL235877

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C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL235877
Phase Preclinical
Structure Type MOL
InChI Key HZKJZYRLLBKBHA-CKPBXHSSSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

634.9
MW (Da)
3.32
ALogP
9
HBA
6
HBD
156.9
PSA (Ų)
0.20
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H58O9
MW 634.85
Aromatic Rings 0
Heavy Atoms 45
NP-Likeness 3.04

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
17869102 10.1016/j.bmcl.2007.08.057 Unchecked 1
18517260 10.1021/jm8000949 Glycogen phosphorylase, muscle form 1

Data from ChEMBL 36 via Core Engine