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Compound Detail

CHEMBL383016

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CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CCC4[C@@]5(C)C/C(=N\O)[C@H](O)C(C)(C)C5CC[C@]43C)[C@@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL383016
Phase Preclinical
Structure Type MOL
InChI Key YMZNNSBJOHBZBG-NEUYSFESSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

575.8
MW (Da)
8.33
ALogP
5
HBA
2
HBD
79.1
PSA (Ų)
0.16
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 C37H53NO4
MW 575.83
Aromatic Rings 1
Heavy Atoms 42
NP-Likeness 2.26

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16546381 10.1016/j.bmcl.2006.03.009 Glycogen phosphorylase, muscle form 1

Data from ChEMBL 36 via Core Engine