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Compound Detail

CHEMBL374102

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C[C@@H]1C(=O)O[C@H]2C[C@]34C5OC(=O)[C@]3(OC(O)C4[C@H](C(C)(C)C)[C@H]5O)[C@]21O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL374102
Phase Preclinical
Structure Type MOL
InChI Key VMOXHQCDLLMFQI-HUBDDZJVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
-0.67
ALogP
8
HBA
3
HBD
122.5
PSA (Ų)
0.48
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 C18H24O8
MW 368.38
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 2.63

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