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Compound Detail

CHEMBL379848

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

Basic Information

ChEMBL ID CHEMBL379848
Phase Preclinical
Structure Type MOL
InChI Key JXAQIRMTFVLMTK-NGMBBFSPSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

469.7
MW (Da)
7.70
ALogP
3
HBA
2
HBD
69.9
PSA (Ų)
0.23
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H47NO3
MW 469.71
Aromatic Rings 0
Heavy Atoms 34
NP-Likeness 3.03

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