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Compound Detail

CHEMBL511949

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COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)c3c(OC)c(O)ccc3oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL511949
Phase Preclinical
Structure Type MOL
InChI Key CLLIMVPNWOBNEF-GUTCHGCDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

450.4
MW (Da)
-0.15
ALogP
11
HBA
5
HBD
168.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H22O11
MW 450.40
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 2.04

Literature References

PubMed DOI Target Context # Activities
18406151 10.1016/j.bmc.2008.03.069 C6 1
18406151 10.1016/j.bmc.2008.03.069 U-251 1

Data from ChEMBL 36 via Core Engine