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Compound Detail

CHEMBL471346

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OC[C@H]1O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)C[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL471346
Phase Preclinical
Structure Type MOL
InChI Key HDBHMFRRZUEBNH-BQJUDKOJSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
2.30
ALogP
5
HBA
2
HBD
68.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26O5
MW 358.43
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.85

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