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Compound Detail

CHEMBL506695

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C[C@@]12CC[C@@H]3O[C@H](CO)[C@@H](O)C[C@H]3O[C@H]1C[C@H]1O[C@@H](COCc3ccccc3)[C@H](OCc3ccccc3)C[C@@H]1O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL506695
Phase Preclinical
Structure Type MOL
InChI Key VLNBZMHGZQGBCZ-LTAGUNENSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

554.7
MW (Da)
3.55
ALogP
8
HBA
2
HBD
95.8
PSA (Ų)
0.51
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H42O8
MW 554.68
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness 1.58

Activity Summary

Kd 2 meas.

Literature References

PubMed DOI Target Context # Activities
18947999 10.1016/j.bmcl.2008.10.020 Glycophorin-A 1
18947999 10.1016/j.bmcl.2008.10.020 Unchecked 1

Data from ChEMBL 36 via Core Engine