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Compound Detail

CHEMBL221769

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C[C@@H]1C(=O)O[C@H]2C[C@@]34C5C[C@@H](C(C)(C)C)C3C(=O)O[C@]4(C(=O)O5)[C@]21O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL221769
Phase Preclinical
Structure Type MOL
InChI Key LYDSQQARURFTGF-UXEAUNEESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
0.57
ALogP
7
HBA
1
HBD
99.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22O7
MW 350.37
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 2.35

Literature References

PubMed DOI Target Context # Activities
17352465 10.1021/jm070003n Glycine receptor subunit alpha-1 2
17352465 10.1021/jm070003n Glycine receptor subunit alpha-2 1

Data from ChEMBL 36 via Core Engine