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Compound Detail

CHEMBL242247

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COc1cc(C2c3cc(OC(=O)c4ccccc4)c(OC)cc3C[C@@H](CO)[C@@H]2CO)ccc1OC(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL242247
Phase Preclinical
Structure Type MOL
InChI Key OMVSZZGLJJZENQ-VBFNYZAASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

568.6
MW (Da)
5.05
ALogP
8
HBA
2
HBD
111.5
PSA (Ų)
0.21
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H32O8
MW 568.62
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness 0.82

Literature References

PubMed DOI Target Context # Activities
17663539 10.1021/jm070295s SARS-CoV 5
17663539 10.1021/jm070295s Vero 1

Data from ChEMBL 36 via Core Engine