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Compound Detail

CHEMBL1668109

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COc1cc2c(cc1O)C(=O)[C@@H](CO)[C@H](CO)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1668109
Phase Preclinical
Structure Type MOL
InChI Key WNTGJRDWTGWZJM-WPRPVWTQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
0.36
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H16O5
MW 252.27
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 2.02

Literature References

PubMed DOI Target Context # Activities
21138310 10.1021/np100665j Cytochrome P450 3A4 1
21138310 10.1021/np100665j Cytochrome P450 2D6 1

Data from ChEMBL 36 via Core Engine