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Compound Detail

CHEMBL155186

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

Basic Information

ChEMBL ID CHEMBL155186
Phase Preclinical
Structure Type MOL
InChI Key CNFOJCLWEBEQFD-LIBKGXAOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
1.43
ALogP
4
HBA
3
HBD
104.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H22O6
MW 298.34
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 1.88

Literature References

PubMed DOI Target Context # Activities
10098673 10.1016/s0960-894x(99)00032-3 Influenza A virus 1
10098673 10.1016/s0960-894x(99)00032-3 Influenza B virus 1

Data from ChEMBL 36 via Core Engine