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Compound Detail

CHEMBL1956399

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C=C(C(=O)OCCBr)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1956399
Phase Preclinical
Structure Type MOL
InChI Key IUCROGWWIDLFII-GDLCADMTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

355.3
MW (Da)
3.82
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23BrO3
MW 355.27
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 2.05

Literature References

PubMed DOI Target Context # Activities
22341943 10.1016/j.bmcl.2012.01.056 Influenza A virus 2
22341943 10.1016/j.bmcl.2012.01.056 MDCK 1
22341943 10.1016/j.bmcl.2012.01.056 Influenza B virus 1

Data from ChEMBL 36 via Core Engine