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Compound Detail

CHEMBL211043

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CC(=O)[C@H]1CC[C@H]2[C@H]3C(=C4CC[C@@H](O)C[C@@]4(C)[C@H]3O)CC[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL211043
Phase Preclinical
Structure Type MOL
InChI Key YNHDWCRFSTVJQS-YJDWCWRUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.5
MW (Da)
3.24
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30O3
MW 318.46
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 2.55

Literature References

PubMed DOI Target Context # Activities
16722640 10.1021/jm060002f GABA-A receptor; anion channel 2

Data from ChEMBL 36 via Core Engine