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Compound Detail

CHEMBL3633247

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CCCCC[C@@H]1OC(/C(C)=N/OC)=C(C(=O)O)[C@H](O)[C@@]1(C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3633247
Phase Preclinical
Structure Type MOL
InChI Key FPUJYQIUKJKYKE-CRTZVLTCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
1.44
ALogP
6
HBA
3
HBD
108.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H25NO6
MW 315.37
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 1.36

Literature References

PubMed DOI Target Context # Activities
26508550 10.1016/j.bmcl.2015.10.048 A549 2

Data from ChEMBL 36 via Core Engine