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Compound Detail

CHEMBL224937

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C[C@@H]1CO[C@H]2C[C@@]34C5C[C@@H](C(C)(C)C)C36C(OC[C@@H]6O)O[C@]4(C(=O)O5)[C@@]12O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL224937
Phase Preclinical
Structure Type MOL
InChI Key QOGPABQRGRYRDW-BWWSXPGSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
0.61
ALogP
7
HBA
2
HBD
94.5
PSA (Ų)
0.59
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 C20H28O7
MW 380.44
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 2.74

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