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Compound Detail

CHEMBL222405

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COC1C[C@@]23C4C[C@@H](C(C)(C)C)C25C(OC(=O)[C@@H]5OC)O[C@@]3(C(=O)O1)C(=O)O4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222405
Phase Preclinical
Structure Type MOL
InChI Key NNTPCQLOJCHHSL-LCBLUAISSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
0.54
ALogP
9
HBA
0
HBD
106.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24O9
MW 396.39
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 2.25

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