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Compound Detail

CHEMBL412384

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CC(=O)O[C@H]1C(=O)OC2O[C@@]34C(=O)OC5C[C@@H](C(C)(C)C)C21[C@@]53C[C@@H]1OC(=O)[C@H](C)[C@@H]14
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL412384
Phase Preclinical
Structure Type MOL
InChI Key IOAIEQUCGXRBBY-KRCNBCJPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

434.4
MW (Da)
1.12
ALogP
9
HBA
0
HBD
114.4
PSA (Ų)
0.44
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 C22H26O9
MW 434.44
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 2.71

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