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Compound Detail

CHEMBL376777

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

Basic Information

ChEMBL ID CHEMBL376777
Phase Preclinical
Structure Type MOL
InChI Key ODJBPMBBULFPKZ-UXMMBOEGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
0.13
ALogP
8
HBA
2
HBD
111.5
PSA (Ų)
0.56
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 C20H26O8
MW 394.42
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 3.04

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