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Compound Detail

CHEMBL482332

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O=C(CCc1ccccc1)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL482332
Phase Preclinical
Structure Type MOL
InChI Key ZTNCCJMTVBEUQZ-UAFMIMERSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
1.32
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22O6
MW 358.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 1.11

Literature References

PubMed DOI Target Context # Activities
19097778 10.1016/j.bmcl.2008.11.112 Solute carrier family 28 member 3 1

Data from ChEMBL 36 via Core Engine