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Compound Detail

CHEMBL210647

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CCN(CC)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

Basic Information

ChEMBL ID CHEMBL210647
Phase Preclinical
Structure Type MOL
InChI Key JBRSOUZXTBMNFQ-WCSGAGFDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

555.9
MW (Da)
8.03
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H61NO3
MW 555.89
Aromatic Rings 0
Heavy Atoms 40
NP-Likeness 2.41

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