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Compound Detail

CHEMBL33541

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O=C(CCc1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL33541
Phase Preclinical
Structure Type MOL
InChI Key RLGFSACCIOSKQS-NCZKRNLISA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

356.3
MW (Da)
-0.73
ALogP
8
HBA
6
HBD
164.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20O9
MW 356.33
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 2.02

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
28619537 10.1016/j.bmcl.2017.06.011 B16 2
9003513 10.1021/jm9607360 Unchecked 1

Data from ChEMBL 36 via Core Engine