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Compound Detail

CHEMBL3901561

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O=C1C[C@@H](c2cc(O)c(O)c(O)c2)Oc2cc(O)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3901561
Phase Preclinical
Structure Type MOL
InChI Key RZPNYDYGMFMXLQ-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

288.2
MW (Da)
2.22
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H12O6
MW 288.25
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.71

Literature References

PubMed DOI Target Context # Activities
27955927 10.1016/j.bmc.2016.11.055 RAW264.7 1

Data from ChEMBL 36 via Core Engine