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Compound Detail

CHEMBL508302

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COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL508302
Phase Preclinical
Structure Type MOL
InChI Key ZPRAJLPWRSLALC-SUNYJGFJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
2.03
ALogP
7
HBA
4
HBD
108.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H26O7
MW 390.43
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 1.92

Literature References

PubMed DOI Target Context # Activities
14510595 10.1021/np0301543 Aldo-keto reductase family 1 member B1 2

Data from ChEMBL 36 via Core Engine