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Compound Detail

CHEMBL209253

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

Basic Information

ChEMBL ID CHEMBL209253
Phase Preclinical
Structure Type MOL
InChI Key YHNBTCXZHZSNSH-JKSQLUQGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

542.8
MW (Da)
7.56
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H54O5
MW 542.80
Aromatic Rings 0
Heavy Atoms 39
NP-Likeness 2.80

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