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Compound Detail

CHEMBL376961

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C=CCOC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CCC3[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL376961
Phase Preclinical
Structure Type MOL
InChI Key YHUCDLCUYSQXGS-QKKDNWSVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

496.8
MW (Da)
7.88
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H52O3
MW 496.78
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 2.97

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